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CHEBI:203143 - 1,2-Dihydrohelvolic acid

Default Structure
ChEBI IDCHEBI:203143
ChEBI Name1,2-Dihydrohelvolic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H46O8
Net Charge0
Average Mass570.723
Monoisotopic Mass570.31927
SMILESCC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)CCC(=O)[C@@H](C)[C@@H]4[C@H](OC(C)=O)C(=O)[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O
InChIInChI=1S/C33H46O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,18,22,24-25,27-28H,9,11-16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,24+,25+,27-,28+,31-,32+,33-/m1/s1
InChIKeyADRQWLCLPUQFJM-OAJDADRGSA-N
Species of MetaboliteComponentSourceComments
Metarhizium (ncbitaxon:5529) - PubMed (18558337)
ChEBI Ontology
Outgoing Relation(s)
1,2-Dihydrohelvolic acid (CHEBI:203143) is a steroid ester (CHEBI:47880)
IUPAC Name 
(2Z)-2-[(4S,5S,6S,8S,9S,10R,13R,14S,16S)-6,16-diacetyloxy-4,8,10,14-tetramethyl-3,7-dioxo-2,4,5,6,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
Manual XrefsDatabases
23550416ChemSpider