Hydroperoxycochliodinol (CHEBI:214570)

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CHEBI:214570 - Hydroperoxycochliodinol

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ChEBI ID	CHEBI:214570
ChEBI Name	Hydroperoxycochliodinol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H30N2O5
Net Charge	0
Average Mass	522.601
Monoisotopic Mass	522.21547
SMILES	CC(C)=CCc1ccc2ncc(C3=C(O)C(=O)C(c4cnc5ccc(CC=C(C)C)cc45)=C(OO)C3=O)c2c1
InChI	InChI=1S/C32H30N2O5/c1-17(2)5-7-19-9-11-25-21(13-19)23(15-33-25)27-29(35)30(36)28(32(39-38)31(27)37)24-16-34-26-12-10-20(14-22(24)26)8-6-18(3)4/h5-6,9-16,33-35,38H,7-8H2,1-4H3
InChIKey	KEXSDQSHFVELQX-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Chaetomiumspecies (ncbitaxon:1769349)	-	DOI (10.1007/s10600-020-03123-x)

ChEBI Ontology

Outgoing Relation(s)
	Hydroperoxycochliodinol (CHEBI:214570) is a indoles (CHEBI:24828)

IUPAC Name
2-hydroperoxy-5-hydroxy-3,6-bis[5-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione