3′-N-acetyl-holyrine A (CHEBI:214975)

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CHEBI:214975 - 3′-N-acetyl-holyrine A

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ChEBI ID	CHEBI:214975
ChEBI Name	3′-N-acetyl-holyrine A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H26N4O4
Net Charge	0
Average Mass	482.540
Monoisotopic Mass	482.19541
SMILES	CC(=O)N[C@@H]1C[C@H](n2c3ccccc3c3c4c(c5c6ccccc6nc5c32)CNC4=O)O[C@@H](C)[C@@H]1O
InChI	InChI=1S/C28H26N4O4/c1-13-27(34)19(30-14(2)33)11-21(36-13)32-20-10-6-4-8-16(20)23-24-17(12-29-28(24)35)22-15-7-3-5-9-18(15)31-25(22)26(23)32/h3-10,13,19,21,27,31,34H,11-12H2,1-2H3,(H,29,35)(H,30,33)/t13-,19+,21+,27-/m0/s1
InChIKey	QOGRCYLUNKUCSL-PAFZLBRNSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies (ncbitaxon:1931)	-	DOI (10.1016/j.phytol.2017.11.002)

ChEBI Ontology

Outgoing Relation(s)
	3′-N-acetyl-holyrine A (CHEBI:214975) is a indolocarbazole (CHEBI:51915)

IUPAC Name
N-[(2S,3R,4R,6R)-3-hydroxy-2-methyl-6-(12-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)oxan-4-yl]acetamide

Manual Xrefs	Databases
65328927	ChemSpider