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CHEBI:227577 - Chermesin B

ChEBI IDCHEBI:227577
ChEBI NameChermesin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O3
Net Charge0
Average Mass370.533
Monoisotopic Mass370.25079
SMILESCC1=CC(=O)C(C)=C2O[C@@]3(C[C@]12C)[C@@H](C)CC[C@H]1C(C)(C)C(=O)CC[C@@]13C
InChIInChI=1S/C24H34O3/c1-14-8-9-18-21(4,5)19(26)10-11-23(18,7)24(14)13-22(6)15(2)12-17(25)16(3)20(22)27-24/h12,14,18H,8-11,13H2,1-7H3/t14-,18-,22+,23-,24-/m0/s1
InChIKeyDPFQPNJTINPILZ-IGEYXDNXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26990653)
ChEBI Ontology
Outgoing Relation(s)
Chermesin B (CHEBI:227577) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3'aR,4aS,5S,6S,8aR)-1,1,3'a,4',4a,6,7'-heptamethylspiro[3,4,6,7,8,8a-hexahydronaphthalene-5,2'-3H-1-benzouran]-2,6'-dione
Manual XrefsDatabases
58196706ChemSpider