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CHEBI:226566 - Nigcollin B

ChEBI IDCHEBI:226566
ChEBI NameNigcollin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O7
Net Charge0
Average Mass312.318
Monoisotopic Mass312.12090
SMILESCC(O)C(O)C=C[C@H]1OC=C2C(=CC(=O)[C@@](C)(O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C15H20O7/c1-7(16)10(17)3-4-11-13(19)8-5-12(18)15(2,21)14(20)9(8)6-22-11/h3-7,10-11,13-14,16-17,19-21H,1-2H3/t7?,10?,11-,13+,14+,15-/m1/s1
InChIKeyHDEDKGOHCMUNEE-YTXPSFINSA-N
Species of MetaboliteComponentSourceComments
Nigrospora oryzae (ncbitaxon:335854) - PubMed (32401511)
ChEBI Ontology
Outgoing Relation(s)
Nigcollin B (CHEBI:226566) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3R,4S,7S,8S)-3-(3,4-dihydroxypent-1-enyl)-4,7,8-trihydroxy-7-methyl-4,8-dihydro-3H-isochromen-6-one