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CHEBI:224915 - (1R,18S,19R,31S)-7,18,19,23,25-pentahydroxy-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 IDCHEBI:224915
ChEBI Name(1R,18S,19R,31S)-7,18,19,23,25-pentahydroxy-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
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H24O10
Net Charge0
Average Mass568.534
Monoisotopic Mass568.13695
SMILESCc1cc(O)c2c(c1)C(=O)c1ccc3c(c1C2=O)O[C@@]12O[C@@H](C)[C@@]4(O)C31C(=C(O)c1c(O)cccc12)C(=O)C[C@@]4(C)O
InChIInChI=1S/C32H24O10/c1-12-9-15-21(19(34)10-12)26(37)22-14(25(15)36)7-8-17-28(22)42-32-16-5-4-6-18(33)23(16)27(38)24-20(35)11-29(3,39)31(40,13(2)41-32)30(17,24)32/h4-10,13,33-34,38-40H,11H2,1-3H3/t13-,29+,30?,31-,32+/m0/s1
InChIKeyXAODZFDCWSRZGY-LDOGIDLLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (16872146)
ChEBI Ontology
Outgoing Relation(s)
(1R,18S,19R,31S)-7,18,19,23,25-pentahydroxy-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:224915) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(1R,18S,19R,31S)-7,18,19,23,25-pentahydroxy-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 XrefsDatabases
10017497ChemSpider