Actinomadurone (CHEBI:217675)

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CHEBI:217675 - Actinomadurone

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ChEBI ID	CHEBI:217675
ChEBI Name	Actinomadurone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H31NO10
Net Charge	0
Average Mass	613.619
Monoisotopic Mass	613.19480
SMILES	CCC/C=C/C=C/C(=O)O[C@H]1C=CC[C@@H]2C(=O)c3c(O)c4c5c(c3O[C@@H]12)OCO[C@@H]5Cc1c-4c(O)c2c(=O)nc(C)cc2c1O
InChI	InChI=1S/C34H31NO10/c1-3-4-5-6-7-11-21(36)44-19-10-8-9-16-28(38)26-30(40)25-22-18(27(37)17-12-15(2)35-34(41)23(17)29(22)39)13-20-24(25)32(43-14-42-20)33(26)45-31(16)19/h5-8,10-12,16,19-20,31,37,39-40H,3-4,9,13-14H2,1-2H3,(H,35,41)/b6-5+,11-7+/t16-,19+,20-,31-/m1/s1
InChIKey	WAGVNGRLPTURIF-KCLAIHFJSA-N

Species of Metabolite	Component	Source	Comments
Actinomadura (ncbitaxon:1988)	-	DOI (10.1016/j.tetlet.2017.07.008)

ChEBI Ontology

Outgoing Relation(s)
	Actinomadurone (CHEBI:217675) is a xanthones (CHEBI:51149)

IUPAC Name
[(13R,20R,21S,25S)-3,10,28-trihydroxy-7-methyl-5,26-dioxo-14,16,19-trioxa-6-azaheptacyclo[15.11.1.02,11.04,9.013,29.018,27.020,25]nonacosa-1(29),2,4(9),7,10,17,22,27-octaen-21-yl] (2E,4E)-octa-2,4-dienoate

Manual Xrefs	Databases
78439395	ChemSpider