CHEBI:3953 - Cucurbitacin S

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cucurbitacin S
ChEBI ID CHEBI:3953
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H42O6
Net Charge 0
Average Mass 498.652
Monoisotopic Mass 498.29814
InChI InChI=1S/C30H42O6/c1-15-18(31)12-23(27(4,5)35)36-20-13-28(6)21-10-9-16-17(11-19(32)25(34)26(16,2)3)30(21,8)22(33)14-29(28,7)24(15)20/h9,11,15,17,20-21,23-24,32,35H,10,12-14H2,1-8H3/t15-,17-,20-,21+,23+,24+,28+,29-,30+/m1/s1
InChIKey MBYLRWSUZLFUTO-PQNVQGKDSA-N
SMILES C[C@H]1[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O[C@@H](CC1=O)C(C)(C)O
ChEBI Ontology
Outgoing Cucurbitacin S (CHEBI:3953) is a 11-oxo steroid (CHEBI:47787)
Synonym Source
Cucurbitacin S KEGG COMPOUND
Manual Xrefs Databases
C00003694 KNApSAcK
C08806 KEGG COMPOUND
View more database links
Registry Number Type Source
60137-06-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014