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CHEBI:207550 - Torrubiellin B

ChEBI IDCHEBI:207550
ChEBI NameTorrubiellin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H20O10
Net Charge0
Average Mass540.480
Monoisotopic Mass540.10565
SMILESCc1cc(O)c2c(c1)[C@@H](O)[C@@]13Cc4cc(O)c5c(c4[C@@H]1C=CC(=O)C3=C2O)C(=O)c1cc(O)c(O)c(O)c1C5=O
InChIInChI=1S/C30H20O10/c1-9-4-12-19(15(32)5-9)27(38)23-14(31)3-2-13-18-10(8-30(13,23)29(12)40)6-16(33)21-22(18)24(35)11-7-17(34)25(36)28(39)20(11)26(21)37/h2-7,13,29,32-34,36,38-40H,8H2,1H3/t13-,29+,30-/m0/s1
InChIKeyXCQTTYCCBFUODW-XFNOWFNXSA-N
Species of MetaboliteComponentSourceComments
Torrubiella (ncbitaxon:153665) - PubMed (23010900)
ChEBI Ontology
Outgoing Relation(s)
Torrubiellin B (CHEBI:207550) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,17S,29R)-5,9,10,11,22,24,29-heptahydroxy-26-methylheptacyclo[15.12.0.01,21.03,16.06,15.08,13.023,28]nonacosa-3,5,8,10,12,15,18,21,23(28),24,26-undecaene-7,14,20-trione
Manual XrefsDatabases
78438424ChemSpider