(1R,18R,31S)-7,23,25-trihydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.01,17.03,16.04,13.06,11.017,22.024,29]hentriaconta-3(16),4(13),6(11),7,9,14,19,22,24(29),25,27-undecaene-5,12,21-trione (CHEBI:201185)

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CHEBI:201185 - (1R,18R,31S)-7,23,25-trihydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.01,17.03,16.04,13.06,11.017,22.024,29]hentriaconta-3(16),4(13),6(11),7,9,14,19,22,24(29),25,27-undecaene-5,12,21-trione

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ChEBI ID	CHEBI:201185
ChEBI Name	(1R,18R,31S)-7,23,25-trihydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.01,17.03,16.04,13.06,11.017,22.024,29]hentriaconta-3(16),4(13),6(11),7,9,14,19,22,24(29),25,27-undecaene-5,12,21-trione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H22O8
Net Charge	0
Average Mass	534.520
Monoisotopic Mass	534.13147
SMILES	CC1=CC(=O)C2=C(O)c3c(O)cccc3[C@@]34Oc5c(ccc6c5C(=O)c5c(O)cc(C)cc5C6=O)C23[C@@H]1[C@H](C)O4
InChI	InChI=1S/C32H22O8/c1-12-9-16-22(20(34)10-12)28(37)23-15(27(16)36)7-8-18-30(23)40-32-17-5-4-6-19(33)24(17)29(38)26-21(35)11-13(2)25(14(3)39-32)31(18,26)32/h4-11,14,25,33-34,38H,1-3H3/t14-,25-,31?,32+/m0/s1
InChIKey	YDMUHLKWZINQFC-MFHOVDBWSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (16872146)

ChEBI Ontology

Outgoing Relation(s)
	(1R,18R,31S)-7,23,25-trihydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.01,17.03,16.04,13.06,11.017,22.024,29]hentriaconta-3(16),4(13),6(11),7,9,14,19,22,24(29),25,27-undecaene-5,12,21-trione (CHEBI:201185) is a anthraquinone (CHEBI:22580)

IUPAC Name
(1R,18R,31S)-7,23,25-trihydroxy-9,19,31-trimethyl-2,30-dioxaoctacyclo[16.11.2.01,17.03,16.04,13.06,11.017,22.024,29]hentriaconta-3(16),4(13),6(11),7,9,14,19,22,24(29),25,27-undecaene-5,12,21-trione

Manual Xrefs	Databases
10017644	ChemSpider