Cytosporin J (CHEBI:199552)

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CHEBI:199552 - Cytosporin J

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ChEBI ID	CHEBI:199552
ChEBI Name	Cytosporin J
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H30O6
Net Charge	0
Average Mass	354.443
Monoisotopic Mass	354.20424
SMILES	CCC(O)CCC=CC1=C(CO)[C@@H]2OC(C)(C)[C@@H](O)C[C@@]23O[C@H]3[C@@H]1O
InChI	InChI=1S/C19H30O6/c1-4-11(21)7-5-6-8-12-13(10-20)16-19(17(25-19)15(12)23)9-14(22)18(2,3)24-16/h6,8,11,14-17,20-23H,4-5,7,9-10H2,1-3H3/t11?,14-,15+,16-,17-,19+/m0/s1
InChIKey	FOLDSHFACNCHBB-CNQQIICXSA-N

Species of Metabolite	Component	Source	Comments
Pseudopestalotiopsis theae (ncbitaxon:218556)	-	DOI (10.1016/j.tetlet.2013.10.005)

ChEBI Ontology

Outgoing Relation(s)
	Cytosporin J (CHEBI:199552) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name
(1aS,2R,4aS,7S,8aR)-3-(5-hydroxyhept-1-enyl)-4-(hydroxymethyl)-6,6-dimethyl-2,4a,7,8-tetrahydro-1aH-oxireno[2,3-e]chromene-2,7-diol