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

shionone

Properties Image MNX_ID MNXM5298 reference chebi:63459 formula C30H50O global charge 0 mol weight 426.729 InChIKey HXPXUNQUXCHJLL-LZQQOHPBSA-N InChI InChI=1S/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1 SMILES CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)C1 MNX internals InChI (mnx) InChI=1/C30H50O/c1-21(2)10-9-14-26(4)16-19-30(8)25-13-15-28(6)22(3)23(31)11-12-24(28)29(25,7)18-17-27(30,5)20-26/h10,22,24-25H,9,11-20H2,1-8H3/t22-,24+,25-,26+,27-,28+,29-,30+/m0/s1 SMILES (mnx) [C@:1]12([CH3:22])[C@H:4]3[C@@:2]([CH3:23])([C@H:7]([CH3:27])[C:11](=[CH2:18])[CH2:17][CH2:13]3)[CH2:8][CH2:10][C@@H:5]1[C@:3]1([CH3:24])[C:6]([CH3:25])([CH2:14][C@:16]([CH2:28][CH2:26]/[CH:20]=[C:19](/[CH3:30])[OH:31])([CH3:29])[CH2:21][CH2:12]1)[CH2:15][CH2:9]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:63459 chebi:63459 HXPXUNQUXCHJLL-LZQQOHPBSA-N	shionone (1R,4aS,4bS,6aS,8R,10aR,10bS,12aS)-1,4b,6a,8,10a,12a-hexamethyl-8-(4-methylpent-3-en-1-yl)hexadecahydrochrysen-2(1H)-one D:A-friedo-18,19-secolup-19-en-3-one
kegg.compound:C17966 keggC:C17966 HXPXUNQUXCHJLL-LZQQOHPBSA-N	Shionone Shionon
seed.compound:cpd17951 seedM:cpd17951 HXPXUNQUXCHJLL-LZQQOHPBSA-N	Shionon Shionone shionone
metacyc.compound:CPD-13877 metacycM:CPD-13877 HXPXUNQUXCHJLL-LZQQOHPBSA-N	shionone
keggC:M_C17966 seedM:M_cpd17951	secondary/obsolete/fantasy identifier