shionone
Chemical Formula:
C30H50O
Molecular Weight:
426.724 Daltons
Monoisotopic Mass:
426.3861662271 Daltons
SMILES:
CC(=CCCC1(C)(CCC3(C(C1)(CCC4(C)([CH]2(CCC(C(C)C(C)2CC[CH]34)=O)))C)(C)))C
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
InChIKey:
Databases
MetaCyc:
CPD-13877
KEGG:
C17966
PubChem (CID):
12315507
ChEBI:
63459
Seed:
cpd17951
MetaNetX:
MNXM5298