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CHEBI:212264 - Talaroketal B

ChEBI IDCHEBI:212264
ChEBI NameTalaroketal B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H30O12
Net Charge0
Average Mass630.602
Monoisotopic Mass630.17373
SMILESCO[C@@]12c3c(C)cc(O)c4c3C3=C(O[C@H]5OC[C@H](C)[C@H]5[C@@H]3OC4=O)[C@@H]1[C@]13COC(=O)c4c(O)cc(C)c(c41)C(=O)[C@H]2[C@@H]3OC(C)=O
InChIInChI=1S/C34H30O12/c1-10-6-15(37)19-23-16(10)25(38)24-29(44-13(4)35)33(23,9-43-30(19)39)28-27-21-20-18(14(36)7-11(2)22(20)34(24,28)41-5)31(40)45-26(21)17-12(3)8-42-32(17)46-27/h6-7,12,17,24,26,28-29,32,36-37H,8-9H2,1-5H3/t12-,17-,24-,26-,28+,29-,32+,33-,34+/m0/s1
InChIKeySVOQJMLNJOHGBN-NPZFWSCHSA-N
Species of MetaboliteComponentSourceComments
Talaromyces stipitatus ATCC 10500 (ncbitaxon:441959) - PubMed (26837531)
ChEBI Ontology
Outgoing Relation(s)
Talaroketal B (CHEBI:212264) is a organic heterotricyclic compound (CHEBI:26979)
Talaroketal B (CHEBI:212264) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(2S,3R,13S,14S,22S,23S,24R,27R,31S)-8,18-dihydroxy-14-methoxy-10,16,24-trimethyl-6,12,20-trioxo-5,21,26,28-tetraoxanonacyclo[13.13.2.13,7.13,13.02,14.019,30.022,29.023,27.011,32]dotriaconta-1(29),7,9,11(32),15(30),16,18-heptaen-31-yl] acetate
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78438001ChemSpider