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CHEBI:227572 - Chermesin A

ChEBI IDCHEBI:227572
ChEBI NameChermesin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O3
Net Charge0
Average Mass372.549
Monoisotopic Mass372.26645
SMILESCC1=CC(=O)C(C)=C2O[C@@]3(C[C@]12C)[C@@H](C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]13C
InChIInChI=1S/C24H36O3/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/h12,14,18-19,26H,8-11,13H2,1-7H3/t14-,18-,19-,22+,23-,24-/m0/s1
InChIKeyQSKNABACZZQUJZ-HIRZNULXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26990653)
ChEBI Ontology
Outgoing Relation(s)
Chermesin A (CHEBI:227572) is a benzofurans (CHEBI:35259)
IUPAC Name 
(3S,3'aR,4aS,7S,8S,8aS)-3-hydroxy-3'a,4,4,4',7,7',8a-heptamethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-6'-one
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58196705ChemSpider