Pughiinin A (CHEBI:227329)

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CHEBI:227329 - Pughiinin A

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ChEBI ID	CHEBI:227329
ChEBI Name	Pughiinin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H32O3
Net Charge	0
Average Mass	356.506
Monoisotopic Mass	356.23514
SMILES	C/C1=C/CC(C)(C)/C=C/C[C@@]2(C)Oc3cc(O)cc(C)c3C[C@@H]2C[C@H]1O
InChI	InChI=1S/C23H32O3/c1-15-7-10-22(3,4)8-6-9-23(5)17(13-20(15)25)12-19-16(2)11-18(24)14-21(19)26-23/h6-8,11,14,17,20,24-25H,9-10,12-13H2,1-5H3/b8-6+,15-7-/t17-,20-,23-/m1/s1
InChIKey	QTNDIUYXNQSFIE-HGRUNDETSA-N

Species of Metabolite	Component	Source	Comments
Kionochaeta (ncbitaxon:74399)	-	PubMed (12451493)

ChEBI Ontology

Outgoing Relation(s)
	Pughiinin A (CHEBI:227329) is a 1-benzopyran (CHEBI:38443)

IUPAC Name
(1R,3R,4Z,8E,11R)-4,7,7,11,17-pentamethyl-12-oxatricyclo[9.8.0.013,18]nonadeca-4,8,13(18),14,16-pentaene-3,15-diol

Manual Xrefs	Databases
78437833	ChemSpider