SMTP-1 (CHEBI:215841)

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CHEBI:215841 - SMTP-1

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ChEBI ID	CHEBI:215841
ChEBI Name	SMTP-1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H35NO5
Net Charge	0
Average Mass	429.557
Monoisotopic Mass	429.25152
SMILES	CC(C)=CCC/C(C)=C/CCC1(C)Oc2c(c(O)cc3c2CN(CCO)C3=O)CC1O
InChI	InChI=1S/C25H35NO5/c1-16(2)7-5-8-17(3)9-6-10-25(4)22(29)14-19-21(28)13-18-20(23(19)31-25)15-26(11-12-27)24(18)30/h7,9,13,22,27-29H,5-6,8,10-12,14-15H2,1-4H3/b17-9+
InChIKey	XHODRTXQJFAAJR-RQZCQDPDSA-N

Species of Metabolite	Component	Source	Comments
Stachybotrys microspora (ncbitaxon:80391)	-	PubMed (9099229)

ChEBI Ontology

Outgoing Relation(s)
	SMTP-1 (CHEBI:215841) is a isoindoles (CHEBI:24897)

IUPAC Name
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-8-(2-hydroxyethyl)-2-methyl-4,9-dihydro-3H-pyrano[2,3-e]isoindol-7-one

Manual Xrefs	Databases
8750008	ChemSpider