Spirocurvulaide (CHEBI:227905)

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CHEBI:227905 - Spirocurvulaide

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ChEBI ID	CHEBI:227905
ChEBI Name	Spirocurvulaide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H30O5
Net Charge	0
Average Mass	410.510
Monoisotopic Mass	410.20932
SMILES	CC1=CC(=O)[C@]2(C=C3C[C@H](C)C(=O)[C@H](C)[C@H]3[C@H](/C=C(C)/C=C(C)/C=C/C(=O)O)C2)O1
InChI	InChI=1S/C25H30O5/c1-14(6-7-22(27)28)8-15(2)9-19-12-25(21(26)11-17(4)30-25)13-20-10-16(3)24(29)18(5)23(19)20/h6-9,11,13,16,18-19,23H,10,12H2,1-5H3,(H,27,28)/b7-6+,14-8+,15-9+/t16-,18+,19+,23-,25-/m0/s1
InChIKey	LBTHRNSBFIKBPH-CPSQOLORSA-N

Species of Metabolite	Component	Source	Comments
Curvulariaspecies IFB-Z10 (ncbitaxon:1526222)	-	DOI (10.1016/j.phytol.2018.07.011)

ChEBI Ontology

Outgoing Relation(s)
	Spirocurvulaide (CHEBI:227905) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(2E,4E,6E)-7-[(1S,3S,6S,8R,8aR)-5',6,8-trimethyl-3',7-dioxospiro[1,2,5,6,8,8a-hexahydronaphthalene-3,2'-uran]-1-yl]-4,6-dimethylhepta-2,4,6-trienoic acid