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abieta-7,13-dien-18,18-diol

PropertiesImage
MNX_IDMNXM3524 Image of MNXM3524
referencechebi:63668
formulaC20H32O2
global charge0
mol weight304.474
InChIKeyCPTVDNMRGYWJCH-ONCXSQPRSA-N
InChIInChI=1S/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-18,21-22H,5-6,8-11H2,1-4H3/t16-,17+,19+,20+/m0/s1
SMILESCC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)O)[C@H]2CC1
MNX internals
InChI (mnx)InChI=1/C20H32O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-18,21-22H,5-6,8-11H2,1-4H3/t16-,17+,19+,20+/m0/s1 Image of MNXM3524
SMILES (mnx)[CH3:1][CH:13]([CH3:2])[C:14]1=[CH:12][C:15]2=[CH:7][CH2:9][C@@H:17]3[C@:19]([CH3:3])([CH2:10][CH2:5][CH2:11][C@@:20]3([CH3:4])[CH:18]([OH:21])[OH:22])[C@H:16]2[CH2:8][CH2:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63668
chebi:63668
CPTVDNMRGYWJCH-ONCXSQPRSA-N 		abieta-7,13-dien-18,18-diol

seed.compound:cpd31036
seedM:cpd31036
kegg.compound:C20329
keggC:C20329
CPTVDNMRGYWJCH-ONCXSQPRSA-N 		Abieta-7,13-dien-18,18-diol

metacyc.compound:CPD-8692
metacycM:CPD-8692
CPTVDNMRGYWJCH-RMGPQRKISA-N 		abieta-7,13-dien-18,18-diol
abietadiene-diol
hmdb:HMDB0304255
CPTVDNMRGYWJCH-RMGPQRKISA-N 		abietadiene-diol
Abietadiene-diol
[(1R,4aR,4bR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthren-1-yl]methanediol
[(1R,4aR,4bR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methanediol

seed.compound:cpd25384
seedM:cpd25384
CPTVDNMRGYWJCH-RMGPQRKISA-N 		abietadiene-diol
abieta-7,13-dien-18,18-diol

keggC:M_C20329
seedM:M_cpd25384
seedM:M_cpd31036 		secondary/obsolete/fantasy identifier