Naphthomycinol (CHEBI:198209)

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CHEBI:198209 - Naphthomycinol

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ChEBI ID	CHEBI:198209
ChEBI Name	Naphthomycinol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C40H49NO9
Net Charge	0
Average Mass	687.830
Monoisotopic Mass	687.34073
SMILES	C/C1=C/C=C\C=C/C(C)C(O)CC(O)/C(C)=C\CC(O)/C=C\C(C)C(O)C(C)/C=C(/C)C(=O)c2c(O)c(C)cc3c2C(=O)C=C(NC1=O)C3=O
InChI	InChI=1S/C40H49NO9/c1-21-11-9-8-10-12-24(4)40(50)41-30-19-33(45)34-29(39(30)49)18-27(7)38(48)35(34)37(47)26(6)17-25(5)36(46)23(3)14-16-28(42)15-13-22(2)32(44)20-31(21)43/h8-14,16-19,21,23,25,28,31-32,36,42-44,46,48H,15,20H2,1-7H3,(H,41,50)/b10-8-,11-9-,16-14-,22-13-,24-12-,26-17-
InChIKey	KAIKPZMKOSKFQZ-WLXVNXTNSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (8982347)

ChEBI Ontology

Outgoing Relation(s)
	Naphthomycinol (CHEBI:198209) is a naphthoquinone (CHEBI:25481)

IUPAC Name
(7Z,12Z,16Z,22Z,24Z,26Z)-4,10,14,18,20-pentahydroxy-3,7,9,11,17,21,27-heptamethyl-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaene-6,28,32,34-tetrone