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CHEBI:209699 - Helvolinic acid

ChEBI IDCHEBI:209699
ChEBI NameHelvolinic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H42O7
Net Charge0
Average Mass526.670
Monoisotopic Mass526.29305
SMILESCC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)C=CC(=O)[C@@H](C)[C@@H]4[C@H](O)C(=O)[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O
InChIInChI=1S/C31H42O7/c1-16(2)9-8-10-19(28(36)37)24-20-11-12-23-29(5)14-13-21(33)17(3)25(29)26(34)27(35)31(23,7)30(20,6)15-22(24)38-18(4)32/h9,13-14,17,20,22-23,25-26,34H,8,10-12,15H2,1-7H3,(H,36,37)/b24-19-/t17-,20+,22+,23+,25-,26+,29-,30+,31-/m1/s1
InChIKeyZGQQEJUGWPCCHA-SIZJDIOISA-N
Species of MetaboliteComponentSourceComments
Cephalosporium caerulens (ncbitaxon:150420) - PubMed (5939322)
ChEBI Ontology
Outgoing Relation(s)
Helvolinic acid (CHEBI:209699) is a steroid ester (CHEBI:47880)
IUPAC Name 
(2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-5,6,9,11,12,13,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
Manual XrefsDatabases
78438480ChemSpider