Okaramine H (CHEBI:209023)

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CHEBI:209023 - Okaramine H

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ChEBI ID	CHEBI:209023
ChEBI Name	Okaramine H
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Submitter	MetaboLights
Downloads	Molfile

Formula	C32H32N4O3
Net Charge	0
Average Mass	520.633
Monoisotopic Mass	520.24744
SMILES	CC(C)=CCc1cccc2c1N[C@H]1N3C(=O)/C4=C/c5c(nc6ccccc56)C(C)(C)/C=C\N4C(=O)[C@H]3C[C@@]21O
InChI	InChI=1S/C32H32N4O3/c1-18(2)12-13-19-8-7-10-22-26(19)34-30-32(22,39)17-25-28(37)35-15-14-31(3,4)27-21(16-24(35)29(38)36(25)30)20-9-5-6-11-23(20)33-27/h5-12,14-16,25,30,33-34,39H,13,17H2,1-4H3/b15-14-,24-16-/t25-,30+,32-/m1/s1
InChIKey	CNTMYVFPLVDMFY-HMTCQRMFSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (10075772)

ChEBI Ontology

Outgoing Relation(s)
	Okaramine H (CHEBI:209023) is a pyrroloindole (CHEBI:48133)

IUPAC Name
(1Z,4S,12R,14R,17Z)-12-hydroxy-19,19-dimethyl-7-(3-methylbut-2-enyl)-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione

Manual Xrefs	Databases
9015007	ChemSpider