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beta-amyrin

Properties

Image

Occurences in reactions

MNX_ID

MNXM1077

	#reac
in my sandbox	0
in MNXref (generic)	47
in models (compartimentalized)	2

formula

C₃₀H₅₀O

charge

mass

426.729

reference

chebi:10352

InChIKey

JFSHUTJDVKUMTJ-QHPUVITPSA-N

InChI

InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3/t21-,22-,23+,24-,27+,28-,29+,30+/m0/s1

SMILES

[CH3:1][C:25]1([CH3:2])[CH2:15][CH2:16][C@:27]2([CH3:5])[CH2:17][CH2:18][C@:29]3([CH3:7])[C:20](=[CH:9][CH2:10][C@@H:23]4[C@@:28]5([CH3:6])[CH2:13][CH2:12][C@H:24]([OH:31])[C:26]([CH3:3])([CH3:4])[C@@H:22]5[CH2:11][CH2:14][C@:30]43[CH3:8])[C@@H:21]2[CH2:19]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:10352 chebi:10352	beta-amyrin (3beta)-olean-12-en-3-ol 3beta-hydroxyolean-12-ene amyrin beta-Amyrenol beta-Amyrin olean-12-en-3beta-ol
hmdb:HMDB0249098	beta-Amyrin 4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol b-Amryin beta-amryin beta-amyrin
lipidmaps:LMPR0106150015 lipidmapsM:LMPR0106150015	beta-Amyrin Olean-12-en-3beta-ol
kegg.compound:C08616 keggC:C08616	beta-Amyrin beta-Amyrenol
seed.compound:cpd05523 seedM:cpd05523	beta-Amyrin beta-Amyrenol beta-amyrenol beta-amyrin
metacyc.compound:CPD-6948 metacycM:CPD-6948	beta-amyrin beta-amyrenol
keggC:M_C08616 seedM:M_cpd05523	secondary/obsolete/fantasy identifier