Dahliane H (CHEBI:210605)

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CHEBI:210605 - Dahliane H

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ChEBI ID	CHEBI:210605
ChEBI Name	Dahliane H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H36O6
Net Charge	0
Average Mass	420.546
Monoisotopic Mass	420.25119
SMILES	CC(=O)O[C@H]1[C@@H](O)[C@@H]2[C@H]3OCC4=C3[C@@](C)(CC[C@@H]4OC(C)=O)CC[C@]2(C)[C@H]1C(C)C
InChI	InChI=1S/C24H36O6/c1-12(2)17-22(30-14(4)26)20(27)19-21-18-15(11-28-21)16(29-13(3)25)7-8-23(18,5)9-10-24(17,19)6/h12,16-17,19-22,27H,7-11H2,1-6H3/t16-,17-,19+,20-,21-,22+,23-,24+/m0/s1
InChIKey	QKQWYCCVHVFKEM-WADRPXCBSA-N

Species of Metabolite	Component	Source	Comments
Verticillium dahliae (ncbitaxon:27337)	-	PubMed (30659876)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Dahliane H (CHEBI:210605) is a dicarboxylic acid (CHEBI:35692)

IUPAC Name
[(1R,2R,3S,4R,5R,6R,9R,12S)-4-acetyloxy-3-hydroxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-12-yl] acetate