Nigrospin B (CHEBI:205031)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Nigrospin B

ChEBI ID	CHEBI:205031

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H24O6

Net Charge

Average Mass

348.395

Monoisotopic Mass

348.15729

InChI

InChI=1S/C19H24O6/c1-8(2)6-12(20)7-13-15-14(9(3)11(5)25-13)10(4)17(21)16(18(15)22)19(23)24/h6,9,11,13,21-22H,7H2,1-5H3,(H,23,24)/t9-,11-,13-/m1/s1

InChIKey

LIWASYWKADUSSY-IRUJWGPZSA-N

SMILES

O=C(O)C1=C(O)C2=C([C@@H]([C@@H](C)O[C@@H]2CC(=O)C=C(C)C)C)C(=C1O)C

Metabolite of Species	Details
Nigrospora (NCBI:txid114230)	See: DOI

ChEBI Ontology
Outgoing	Nigrospin B (CHEBI:205031) is a benzenes (CHEBI:22712) Nigrospin B (CHEBI:205031) is a carbonyl compound (CHEBI:36586)

IUPAC Name

(1R,3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-(4-methyl-2-oxopent-3-enyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid