SMTP-6D (CHEBI:220726)

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CHEBI:220726 - SMTP-6D

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ChEBI ID	CHEBI:220726
ChEBI Name	SMTP-6D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H40N2O6
Net Charge	0
Average Mass	572.702
Monoisotopic Mass	572.28864
SMILES	CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CN(C(Cc2cnc4ccccc24)C(=O)O)C3=O)C[C@H]1O
InChI	InChI=1S/C34H40N2O6/c1-20(2)9-7-10-21(3)11-8-14-34(4)30(38)17-25-29(37)16-24-26(31(25)42-34)19-36(32(24)39)28(33(40)41)15-22-18-35-27-13-6-5-12-23(22)27/h5-6,9,11-13,16,18,28,30,35,37-38H,7-8,10,14-15,17,19H2,1-4H3,(H,40,41)/b21-11+/t28?,30-,34-/m1/s1
InChIKey	CJZYCBIYGYFBTP-LGTQIZRRSA-N

Species of Metabolite	Component	Source	Comments
Stachybotrys (ncbitaxon:74721)	-	PubMed (14700276)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	SMTP-6D (CHEBI:220726) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name
2-[(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]-3-(1H-indol-3-yl)propanoic acid

Manual Xrefs	Databases
78442863	ChemSpider