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CHEBI:201240 - Citreohybriddione B

ChEBI IDCHEBI:201240
ChEBI NameCitreohybriddione B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O9
Net Charge0
Average Mass514.571
Monoisotopic Mass514.22028
SMILESC=C1C=C2[C@]34CC[C@H](OC(C)=O)C(C)(C)C3[C@H](C[C@]2(C)[C@]2(C(=O)OC)C(=O)[C@](C)(O)C(=O)[C@]12C)OC4=O
InChIInChI=1S/C28H34O9/c1-13-11-16-24(5,28(22(33)35-8)20(31)26(7,34)19(30)25(13,28)6)12-15-18-23(3,4)17(36-14(2)29)9-10-27(16,18)21(32)37-15/h11,15,17-18,34H,1,9-10,12H2,2-8H3/t15-,17-,18?,24-,25-,26+,27+,28+/m0/s1
InChIKeyPJBZWVDHHJBMHH-KMCSYOIWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Citreohybriddione B (CHEBI:201240) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (1S,5R,7R,9R,10S,12S,15S)-15-acetyloxy-7-hydroxy-5,7,10,14,14-pentamethyl-4-methylidene-6,8,18-trioxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadec-2-ene-9-carboxylate
Manual XrefsDatabases
78443555ChemSpider