**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

cucurbitadienol

Properties Image MNX_ID MNXM5105 reference chebi:62456 formula C30H50O global charge 0 mol weight 426.729 InChIKey WSPRAEIJBDUDRX-FBJXRMALSA-N InChI InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22-,24-,25-,26+,28+,29-,30+/m1/s1 SMILES CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C MNX internals InChI (mnx) InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22-,24-,25-,26+,28+,29-,30+/m1/s1 SMILES (mnx) [C@@:1]12([CH3:13])[C@:2]([CH3:14])([CH2:7][CH2:8][C@@:5]3([CH3:17])[C@H:3]4[C:6](=[CH:10][CH2:9][C@H:4]13)[C:11]([CH3:30])([OH:31])[C@H:15]([CH3:18])[CH2:16][CH2:12]4)[C@@H:19]([C@H:22]([CH2:24][CH2:23]/[CH:26]=[C:27](\[CH3:28])[CH3:29])[CH3:25])[CH2:20][CH2:21]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 13 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:62456 chebi:62456 WSPRAEIJBDUDRX-FBJXRMALSA-N	cucurbitadienol (1S,4S)-9beta,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-ol (1S,4S,9beta)-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-ol 10alpha-cucurbita-5,24-diene-3beta-ol cucurbita-5,24-dien-3-ol
kegg.compound:C19819 keggC:C19819 WSPRAEIJBDUDRX-FBJXRMALSA-N	Cucurbitadienol
seed.compound:cpd21062 seedM:cpd21062 WSPRAEIJBDUDRX-FBJXRMALSA-N	Cucurbitadienol cucurbitadienol
metacyc.compound:CPD-11541 metacycM:CPD-11541 WSPRAEIJBDUDRX-FBJXRMALSA-N	cucurbitadienol
keggC:M_C19819 seedM:M_cpd21062	secondary/obsolete/fantasy identifier