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(ent-6alpha,7alpha,16alphaH)-6,7,17-Trihydroxy-19-kauranoic acid

PropertiesImage
MNX_IDMNXM115322 Image of MNXM115322
referencechebi:175527
formulaC20H32O5
global charge0
mol weight352.471
InChIKeyFQXFNQBHZJYODR-UHFFFAOYSA-N
InChIInChI=1S/C20H32O5/c1-18-6-3-7-19(2,17(24)25)15(18)14(22)16(23)20-8-11(4-5-13(18)20)12(9-20)10-21/h11-16,21-23H,3-10H2,1-2H3,(H,24,25)
SMILESCC1(C(=O)O)CCCC2(C)C1C(O)C(O)C13CC(CO)C(CCC21)C3
MNX internals
InChI (mnx)InChI=1/C20H32O5/c1-18-6-3-7-19(2,17(24)25)15(18)14(22)16(23)20-8-11(4-5-13(18)20)12(9-20)10-21/h11-16,21-23H,3-10H2,1-2H3,(H,24,25)/t11?,12?,13?,14?,15?,16?,18?,19?,20? Image of MNXM115322
SMILES (mnx)[CH3:1][C:18]12[CH2:6][CH2:3][CH2:7][C:19]([CH3:2])([C:17](=[O:24])[OH:25])[CH:15]1[CH:14]([OH:22])[CH:16]([OH:23])[C:20]13[CH2:8][CH:11]([CH2:4][CH2:5][CH:13]21)[CH:12]([CH2:10][OH:21])[CH2:9]3
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175527
chebi:175527
FQXFNQBHZJYODR-UHFFFAOYSA-N 		(ent-6alpha,7alpha,16alphaH)-6,7,17-Trihydroxy-19-kauranoic acid
2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
hmdb:HMDB0036756
FQXFNQBHZJYODR-UHFFFAOYSA-N 		(ent-6alpha,7alpha,16alphaH)-6,7,17-Trihydroxy-19-kauranoic acid
(ent-6a,7a,16AlphaH)-6,7,17-trihydroxy-19-kauranoate
(ent-6a,7a,16AlphaH)-6,7,17-trihydroxy-19-kauranoic acid
(ent-6alpha,7alpha,16AlphaH)-6,7,17-trihydroxy-19-kauranoate
(ent-6alpha,7alpha,16alphah)-6,7,17-trihydroxy-19-kauranoate
(ent-6alpha,7alpha,16alphah)-6,7,17-trihydroxy-19-kauranoic acid
2,3-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
2,3-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid

hmdb:HMDB36756 		secondary/obsolete/fantasy identifier