(1R,18R,19R,31S)-7,19,23,25-tetrahydroxy-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),7,9,14,22,24(29),25,27-decaene-5,12,21-trione (CHEBI:225821)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:225821 - (1R,18R,19R,31S)-7,19,23,25-tetrahydroxy-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),7,9,14,22,24(29),25,27-decaene-5,12,21-trione

Take structure to advanced search

ChEBI ID	CHEBI:225821
ChEBI Name	(1R,18R,19R,31S)-7,19,23,25-tetrahydroxy-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),7,9,14,22,24(29),25,27-decaene-5,12,21-trione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H24O9
Net Charge	0
Average Mass	552.535
Monoisotopic Mass	552.14203
SMILES	Cc1cc(O)c2c(c1)C(=O)c1ccc3c(c1C2=O)O[C@@]12O[C@@H](C)[C@H]4C31C(=C(O)c1c(O)cccc12)C(=O)C[C@@]4(C)O
InChI	InChI=1S/C32H24O9/c1-12-9-15-21(19(34)10-12)26(37)22-14(25(15)36)7-8-17-28(22)41-32-16-5-4-6-18(33)23(16)27(38)24-20(35)11-30(3,39)29(13(2)40-32)31(17,24)32/h4-10,13,29,33-34,38-39H,11H2,1-3H3/t13-,29+,30+,31?,32+/m0/s1
InChIKey	LESRGCZNXLXQQQ-KKHWMGNSSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	(1R,18R,19R,31S)-7,19,23,25-tetrahydroxy-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),7,9,14,22,24(29),25,27-decaene-5,12,21-trione (CHEBI:225821) is a anthraquinone (CHEBI:22580)

IUPAC Name
(1R,18R,19R,31S)-7,19,23,25-tetrahydroxy-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),7,9,14,22,24(29),25,27-decaene-5,12,21-trione

Manual Xrefs	Databases
10017643	ChemSpider