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CHEBI:220773 - Phenylpyropene B

ChEBI IDCHEBI:220773
ChEBI NamePhenylpyropene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O7
Net Charge0
Average Mass508.611
Monoisotopic Mass508.24610
SMILESCC(=O)OC[C@@]1(C)[C@@H]2CC[C@@]3(C)Oc4cc(-c5ccccc5)oc(=O)c4C[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O
InChIInChI=1S/C30H36O7/c1-18(31)34-17-29(4)24-11-14-30(5)25(28(24,3)13-12-26(29)35-19(2)32)15-21-23(37-30)16-22(36-27(21)33)20-9-7-6-8-10-20/h6-10,16,24-26H,11-15,17H2,1-5H3/t24-,25-,26+,28+,29+,30-/m1/s1
InChIKeyCBPHTUXBOQCTIG-UEHVIBGPSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (12546421)
ChEBI Ontology
Outgoing Relation(s)
Phenylpyropene B (CHEBI:220773) is a steroid (CHEBI:35341)
IUPAC Name 
[(1R,2S,5S,6R,7R,10R)-5-acetyloxy-2,6,10-trimethyl-16-oxo-14-phenyl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl]methyl acetate
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78442871ChemSpider