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CHEBI:226576 - Nigcollin D

ChEBI IDCHEBI:226576
ChEBI NameNigcollin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O7
Net Charge0
Average Mass326.345
Monoisotopic Mass326.13655
SMILESCC=CC=C[C@H]1O[C@H](OC)[C@@]2(O)C(=CC(=O)[C@@](C)(O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C16H22O7/c1-4-5-6-7-10-12(18)9-8-11(17)15(2,20)13(19)16(9,21)14(22-3)23-10/h4-8,10,12-14,18-21H,1-3H3/t10-,12+,13-,14+,15-,16-/m1/s1
InChIKeyKOQQLRRXFCQQRC-IOIVRQTOSA-N
Species of MetaboliteComponentSourceComments
Nigrospora oryzae (ncbitaxon:335854) - PubMed (32401511)
ChEBI Ontology
Outgoing Relation(s)
Nigcollin D (CHEBI:226576) is a benzopyran (CHEBI:22727)
IUPAC Name 
(1S,3R,4S,7S,8S,8aR)-4,7,8,8a-tetrahydroxy-1-methoxy-7-methyl-3-penta-1,3-dienyl-1,3,4,8-tetrahydroisochromen-6-one