3-Methoxy-4-hydroxymandelate

PubChem CID: 1245

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Compound Synonyms	Vanillylmandelic acid, 55-10-7, dl-4-Hydroxy-3-methoxymandelic acid, 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid, 2394-20-9, 4-HYDROXY-3-METHOXYMANDELIC ACID, Vanilmandelic acid, (+/-)-Vanillylmandelic acid, DL-vanillylmandelic acid, VMA, 53587-34-1, Vanillomandelc acid, DL-vanillomandelic acid, DL-4-HYDROXY-3-METHOXYMANDELIC-2-D1 ACID, Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid, 3-Methoxy-4-hydroxymandelate, dl-3-Methoxy-4-hydroxymandelic acid, Mandelic acid, 4-hydroxy-3-methoxy-, Benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy-, CHEBI:20106, Vanillomandelic acid, Vanillinmandelic Acid, 0DQI268449, (4-Hydroxy-3-methoxyphenyl)glycolic acid, 3-Methoxy-4-hydroxyphenylhydroxyacetic acid, Vanillylmandelic acid, VMA, 3-methoxy-4-hydroxymandelic acid, MFCD00004235, 4'-Hydroxy-3'-methoxymandelic acid, UNII-0DQI268449, Benzeneacetic acid, alpha,4-dihydroxy-3-methoxy-, EINECS 200-224-0, (y)-Vanillylmandelic acid, (?)-Vanillylmandelic acid, Lopac0_000602, Oprea1_553862, MLS002153465, SCHEMBL134326, (.+/-.)-Vanilmandelic acid, GTPL6645, VANILMANDELIC ACID [MI], CHEMBL1256396, FEMA NO. 4660, SCHEMBL10085823, Vanillylmandelic acid (Standard), DTXSID10861583, HMS2235H06, HMS3261J06, HMS3371D20, (+/-)-VANILMANDELIC ACID, BCP33203, DL-4-Hydroxy-3-methoxymandelicacid, Tox21_500602, STL558222, 4-hydroxy-3-methoxyphenylglycolic acid, AKOS015851906, CCG-204691, FH24236, HY-113121R, LP00602, SDCCGSBI-0050584.P002, NCGC00015492-02, NCGC00015492-03, NCGC00015492-04, NCGC00015492-05, NCGC00015492-07, NCGC00093978-01, NCGC00093978-02, NCGC00093978-03, NCGC00261287-01, AS-62192, SMR001230822, DB-071947, DB-349286, HY-113121, CS-0059631, EU-0100602, H0268, NS00015078, S6613, ( inverted question mark)-Vanillylmandelic acid, C05584, D90829, H 0131, (+/-)-3-METHOXY-4-HYDROXYMANDELIC ACID, EN300-1868166, Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid #, dl-.alpha.,4-Dihydroxy-3-methoxyphenylacetic acid, Q901369, SR-01000075241, 2-(4-Hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid, SR-01000075241-1, 2-(4'-Hydroxy-3'-methoxyphenyl) 2-hydroxyethanoic acid, Benzeneacetic acid, a,4-dihydroxy-3-methoxy-, (+/-)-, Benzeneacetic acid, a,4-dihydroxy-3-methoxy-, (A+/-)-, DCD57880-FBEE-4ED4-A834-92387D266E8A, DL-4-Hydroxy-3-methoxymandelic acid, analytical standard, ( inverted question mark)-4-Hydroxy-3-methoxymandelic acid, DL-4-Hydroxy-3-methoxymandelic acid, >=98% (TLC), powder, DL-4-HYDROXY-3-METHOXYMANDELIC ACID (DL-VANILLYLMANDELIC ACID), a,4-Dihydroxy-3-methoxybenzeneacetic acid, (+/-)-Vanilmandelic acid, (4-Hydroxy-3-methoxyphenyl)glycolic acid
Topological Polar Surface Area	87.0
Hydrogen Bond Donor Count	3.0
Heavy Atom Count	14.0
Isotope Atom Count	0.0
Molecular Complexity	205.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	P25779, Q962Y6, O97447, P00811, P54132, Q6W5P4, Q96KQ7, O15648, P39748, O75496, n.a.
Iupac Name	2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
Prediction Hob	1.0
Target Id	NPT58, NPT1416
Xlogp	-0.2
Molecular Formula	C9H10O5
Prediction Swissadme	0.0
Inchi Key	CGQCWMIAEPEHNQ-UHFFFAOYSA-N
Fcsp3	0.2222222222222222
Logs	-1.287
Rotatable Bond Count	3.0
Logd	0.122
Compound Name	3-Methoxy-4-hydroxymandelate
Prediction Hob Swissadme	0.0
Exact Mass	198.053
Formal Charge	0.0
Monoisotopic Mass	198.053
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	198.17
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Esol	-0.9673216571428569
Inchi	InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
Smiles	COC1=C(C=CC(=C1)C(C(=O)O)O)O
Nring	1.0
Defined Bond Stereocenter Count	0.0

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3-Methoxy-4-hydroxymandelate

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Phytochemical Properties

Associated Connections 62

Plant Connections 62