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CHEBI:226561 - Nigcollin A

ChEBI IDCHEBI:226561
ChEBI NameNigcollin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O6
Net Charge0
Average Mass310.346
Monoisotopic Mass310.14164
SMILESCC=CC=C[C@@H]1CC2=CC(=O)[C@@](C)(O)[C@@H](O)[C@@]2(O)[C@@H](OC)O1
InChIInChI=1S/C16H22O6/c1-4-5-6-7-11-8-10-9-12(17)15(2,19)13(18)16(10,20)14(21-3)22-11/h4-7,9,11,13-14,18-20H,8H2,1-3H3/t11-,13-,14+,15-,16-/m1/s1
InChIKeyDDJUTHSCUMRMKE-YMILTQATSA-N
Species of MetaboliteComponentSourceComments
Nigrospora oryzae (ncbitaxon:335854) - PubMed (32401511)
ChEBI Ontology
Outgoing Relation(s)
Nigcollin A (CHEBI:226561) is a benzopyran (CHEBI:22727)
IUPAC Name 
(1S,3S,7S,8S,8aR)-7,8,8a-trihydroxy-1-methoxy-7-methyl-3-penta-1,3-dienyl-1,3,4,8-tetrahydroisochromen-6-one