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dammarenediol-II

Properties

Image

Occurences in reactions

MNX_ID

MNXM4560

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₃₀H₅₂O₂

charge

mass

444.744

reference

chebi:62416

InChIKey

NLHQJXWYMZLQJY-TXNIMPHESA-N

InChI

InChI=1S/C30H52O2/c1-20(2)10-9-16-30(8,32)22-13-18-28(6)21(22)11-12-24-27(5)17-15-25(31)26(3,4)23(27)14-19-29(24,28)7/h10,21-25,31-32H,9,11-19H2,1-8H3/t21-,22+,23+,24-,25+,27+,28-,29-,30+/m1/s1

SMILES

[CH3:1][C:20]([CH3:2])=[CH:10][CH2:9][CH2:16][C@@:30]([CH3:8])([C@H:22]1[CH2:13][CH2:18][C@:28]2([CH3:6])[C@@H:21]1[CH2:11][CH2:12][C@@H:24]1[C@@:27]3([CH3:5])[CH2:17][CH2:15][C@H:25]([OH:31])[C:26]([CH3:3])([CH3:4])[C@@H:23]3[CH2:14][CH2:19][C@:29]12[CH3:7])[OH:32]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62416 chebi:62416	dammarenediol-II (20S)-dammar-24-ene-3beta,20-diol (20S)-dammarenediol (3beta)-dammar-24-ene-3,20-diol 3beta-glucodammar-24-ene-3,20-diol 8-methyl-18-nor-lanost-24-en-3beta,20-diol 8-methyl-18-nor-lanost-24-ene-3beta,20-diol dammar-24-ene-20(SS),3beta-diol dammar-24-ene-3beta,20-diol dammarenediol dammarenediol II
seed.compound:cpd21072 seedM:cpd21072	Dammarenediol II (20S)-Dammar-24-ene-3beta,20-diol (20S)-dammar-24-ene-3beta,20-diol 3beta-dammar-24-ene-3,20-diol Dammar-24-ene-3beta,20-diol dammar-24-ene-3beta,20-diol dammarenediol II dammarenediol-II
kegg.compound:C19829 keggC:C19829	Dammarenediol-II (20S)-Dammar-24-ene-3beta,20-diol Dammar-24-ene-3beta,20-diol
hmdb:HMDB0252728	Ginsenosides 14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-ol 3beta-Dammar-24-ene-3,20-diol Dammarenediol
metacyc.compound:CPD-9240 metacycM:CPD-9240	dammarenediol II (20S)-dammar-24-ene-3beta,20-diol 3beta-dammar-24-ene-3,20-diol dammar-24-ene-3beta,20-diol dammarenediol-II
keggC:M_C19829 seedM:M_cpd21072	secondary/obsolete/fantasy identifier