Spirohexenolide B (CHEBI:199662)

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CHEBI:199662 - Spirohexenolide B

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ChEBI ID	CHEBI:199662
ChEBI Name	Spirohexenolide B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H28O4
Net Charge	0
Average Mass	392.495
Monoisotopic Mass	392.19876
SMILES	CC1=C[C@]2(C)/C=C(C)/C=C/CC/C=C3/C=C/C(=C4\C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3
InChI	InChI=1S/C25H28O4/c1-16-8-6-5-7-9-19-10-11-20(28-15-19)21-22(26)25(29-23(21)27)14-18(3)17(2)13-24(25,4)12-16/h6,8-13,18H,5,7,14-15H2,1-4H3/b8-6+,16-12+,19-9-,21-20+/t18-,24-,25+/m0/s1
InChIKey	HFHJEHWFJWGNEW-GEBXAXSLSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces platensis (ncbitaxon:58346)	-	PubMed (19883063)

ChEBI Ontology

Outgoing Relation(s)
	Spirohexenolide B (CHEBI:199662) is a macrolide (CHEBI:25106)

IUPAC Name
(1E,5S,7S,10R,11E,13E,17Z)-7,8,10,12-tetramethyl-4,20-dioxatetracyclo[16.2.2.12,5.05,10]tricosa-1,8,11,13,17,21-hexaene-3,23-dione