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

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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
ChEBI ID CHEBI:225821
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C32H24O9
Net Charge 0
Average Mass 552.535
Monoisotopic Mass 552.14203
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
SMILES O=C1C2=C(O)C=C(C)C=C2C(=O)C3=C1C=4O[C@]56O[C@@H](C)[C@H]7C6(C4C=C3)C(=C(O)C8=C5C=CC=C8O)C(=O)C[C@]7(O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing (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 Xref Database
10017643 ChemSpider
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