7-oxo-MLR-52 (CHEBI:210522)

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CHEBI:210522 - 7-oxo-MLR-52

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ChEBI ID	CHEBI:210522
ChEBI Name	7-oxo-MLR-52
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H21N3O6
Net Charge	0
Average Mass	483.480
Monoisotopic Mass	483.14304
SMILES	CO[C@@H]1[C@@H](O)[C@@H](O)[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O
InChI	InChI=1S/C27H21N3O6/c1-27-23(35-2)21(31)22(32)26(36-27)29-13-9-5-3-7-11(13)15-17-18(25(34)28-24(17)33)16-12-8-4-6-10-14(12)30(27)20(16)19(15)29/h3-10,21-23,26,31-32H,1-2H3,(H,28,33,34)/t21-,22+,23+,26+,27-/m0/s1
InChIKey	XQEYSLLYHGBNMQ-WEGPUGCWSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (30268972)

ChEBI Ontology

Outgoing Relation(s)
	7-oxo-MLR-52 (CHEBI:210522) is a indolocarbazole (CHEBI:51915)

IUPAC Name
(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione

Manual Xrefs	Databases
71266945	ChemSpider