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soyasapogenol E

MNXM6436 is deprecated and here replaced by MNXM739133
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739133 Image of MNXM739133
referencechebi:62444
formulaC30H48O3
global charge0
mol weight456.711
InChIKeyFNRBOAGVUNHDIL-LMZUXBMISA-N
InChIInChI=1S/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1
SMILESCC1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
MNX internals
InChI (mnx)InChI=1/C30H48O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-23,31-32H,9-18H2,1-7H3/t20-,21+,22+,23-,26+,27-,28+,29+,30+/m0/s1 Image of MNXM739133
SMILES (mnx)[CH3:1][C:25]1([CH3:2])[CH2:16][C@H:20]2[C:19]3=[CH:8][CH2:9][C@@H:22]4[C@@:27]5([CH3:4])[CH2:12][CH2:11][C@H:23]([OH:32])[C@:28]([CH3:5])([CH2:18][OH:31])[C@@H:21]5[CH2:10][CH2:13][C@@:30]4([CH3:7])[C@:29]3([CH3:6])[CH2:15][CH2:14][C@@:26]2([CH3:3])[C:24](=[O:33])[CH2:17]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62444
chebi:62444
FNRBOAGVUNHDIL-LMZUXBMISA-N 		soyasapogenol E
(3beta)-3,24-dihydroxyolean-12-en-22-one
soyasapogenol-E

kegg.compound:C17420
keggC:C17420
FNRBOAGVUNHDIL-LMZUXBMISA-N 		Soyasapogenol E

seed.compound:cpd17551
seedM:cpd17551
FNRBOAGVUNHDIL-LMZUXBMISA-N 		Soyasapogenol E
soyasapogenol E

metacyc.compound:CPD-9482
metacycM:CPD-9482
FNRBOAGVUNHDIL-LMZUXBMISA-N 		soyasapogenol E

keggC:M_C17420
seedM:M_cpd17551 		secondary/obsolete/fantasy identifier