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11alpha-hydroxy-beta-amyrin

MNXM2592 is deprecated and here replaced by MNXM1371462
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371462 Image of MNXM1371462
referencechebi:63177
formulaC30H50O2
global charge0
mol weight442.728
InChIKeyUBUHIKQRNDOKCZ-JABDUKPASA-N
InChIInChI=1S/C30H50O2/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/h17,20-24,31-32H,9-16,18H2,1-8H3/t20-,21+,22-,23-,24+,27+,28-,29+,30+/m0/s1
SMILESCC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](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/C30H50O2/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/h17,20-24,31-32H,9-16,18H2,1-8H3/t20-,21+,22-,23-,24+,27+,28-,29+,30+/m0/s1 Image of MNXM1371462
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@@H:21]([OH: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)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63177
chebi:63177
UBUHIKQRNDOKCZ-JABDUKPASA-N 		11alpha-hydroxy-beta-amyrin
olean-12-ene-3beta,11alpha-diol

kegg.compound:C19942
keggC:C19942
UBUHIKQRNDOKCZ-JABDUKPASA-N 		11alpha-Hydroxy-beta-amyrin
11alpha-Dihydroxyolean-12-ene

seed.compound:cpd21181
seedM:cpd21181
UBUHIKQRNDOKCZ-JABDUKPASA-N 		11alpha-Hydroxy-beta-amyrin
11alpha-Dihydroxyolean-12-ene
11alpha-hydroxy-beta-amyrin

keggC:M_C19942
seedM:M_cpd21181 		secondary/obsolete/fantasy identifier