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11-oxo-beta-amyrin

MNXM2591 is deprecated and here replaced by MNXM1371460
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371460 Image of MNXM1371460
referencechebi:63184
formulaC30H48O2
global charge0
mol weight440.712
InChIKeyUKAIYBGRLWQHDQ-KWRVYEIKSA-N
InChIInChI=1S/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20,22-24,32H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29+,30+/m0/s1
SMILESCC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
MNX internals
InChI (mnx)InChI=1/C30H48O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h17,20,22-24,32H,9-16,18H2,1-8H3/t20-,22-,23-,24+,27+,28-,29+,30+/m0/s1 Image of MNXM1371460
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[CH2:13][CH2:14][C@:27]2([CH3:5])[CH2:15][CH2:16][C@:29]3([CH3:7])[C:19](=[CH:17][C:21](=[O:31])[C@@H:24]4[C@@:28]5([CH3:6])[CH2:11][CH2:10][C@H:23]([OH:32])[C:26]([CH3:3])([CH3:4])[C@@H:22]5[CH2:9][CH2:12][C@:30]43[CH3:8])[C@@H:20]2[CH2:18]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)16
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63184
chebi:63184
UKAIYBGRLWQHDQ-KWRVYEIKSA-N 		11-oxo-beta-amyrin
3beta-hydroxyolean-12-en-11-one

seed.compound:cpd21182
seedM:cpd21182
UKAIYBGRLWQHDQ-KWRVYEIKSA-N 		11-Oxo-beta-amyrin
11-oxo-beta-amyrin
3beta-Hydroxyolean-12-en-11-one

kegg.compound:C19943
keggC:C19943
UKAIYBGRLWQHDQ-KWRVYEIKSA-N 		11-Oxo-beta-amyrin
3beta-Hydroxyolean-12-en-11-one

keggC:M_C19943
seedM:M_cpd21182 		secondary/obsolete/fantasy identifier