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30-hydroxy-11-oxo-beta-amyrin

MNXM36824 is deprecated and here replaced by MNXM734948
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734948 Image of MNXM734948
referencechebi:71576
formulaC30H48O3
global charge0
mol weight456.711
InChIKeyJCGXIYQLRYPHDG-DQOTWGJISA-N
InChIInChI=1S/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1
SMILESCC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12
MNX internals
InChI (mnx)InChI=1/C30H48O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20,22-24,31,33H,8-15,17-18H2,1-7H3/t20-,22-,23-,24+,26-,27+,28-,29+,30+/m0/s1 Image of MNXM734948
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[C@@H:22]2[CH2:8][CH2:11][C@:30]3([CH3:7])[C@H:24]([C:21](=[O:32])[CH:16]=[C:19]4[C@@H:20]5[CH2:17][C@@:26]([CH3:3])([CH2:18][OH:31])[CH2:12][CH2:13][C@:27]5([CH3:4])[CH2:14][CH2:15][C@:29]43[CH3:6])[C@@:28]2([CH3:5])[CH2:10][CH2:9][C@@H:23]1[OH:33]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71576
chebi:71576
JCGXIYQLRYPHDG-DQOTWGJISA-N 		30-hydroxy-11-oxo-beta-amyrin
(3beta)-3,30-dihydroxyolean-12-en-11-one
3beta,30-dihydroxyolean-12-en-11-one
glycyrrhetol
olean-12-en-11-oxo-3beta,30-diol

seed.compound:cpd31153
seedM:cpd31153
kegg.compound:C20510
keggC:C20510
JCGXIYQLRYPHDG-DQOTWGJISA-N 		30-Hydroxy-11-oxo-beta-amyrin

keggC:M_C20510
seedM:M_cpd31153 		secondary/obsolete/fantasy identifier