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CHEBI:211845 - 5-Olefin phenylpyropene A

ChEBI IDCHEBI:211845
ChEBI Name5-Olefin phenylpyropene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H36O9
Net Charge0
Average Mass564.631
Monoisotopic Mass564.23593
SMILESCC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)C3=Cc4c(cc(-c5ccccc5)oc4=O)O[C@]3(C)[C@@H](OC(C)=O)C[C@@H]12
InChIInChI=1S/C32H36O9/c1-18(33)37-17-31(5)25-16-28(39-20(3)35)32(6)26(30(25,4)13-12-27(31)38-19(2)34)14-22-24(41-32)15-23(40-29(22)36)21-10-8-7-9-11-21/h7-11,14-15,25,27-28H,12-13,16-17H2,1-6H3/t25-,27+,28+,30+,31+,32+/m1/s1
InChIKeySJMDSTIELKWUKQ-NLACPVPWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus thermomutatus (ncbitaxon:41047) - PubMed (26771621)
ChEBI Ontology
Outgoing Relation(s)
5-Olefin phenylpyropene A (CHEBI:211845) is a steroid (CHEBI:35341)
IUPAC Name 
[(2S,5S,6R,7R,9S,10S)-5,9-diacetyloxy-2,6,10-trimethyl-16-oxo-14-phenyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12(17),13-trien-6-yl]methyl acetate
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58196493ChemSpider