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CHEBI:201338 - Trioxacarcin E

ChEBI IDCHEBI:201338
ChEBI NameTrioxacarcin E
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FormulaC34H44O18
Net Charge0
Average Mass740.708
Monoisotopic Mass740.25276
SMILESCOc1c2c(c(O)c3c4c(c(C)cc13)[C@H](O)[C@@H]1O[C@@](O)(C(OC)OC)[C@](O)(CO)[C@]1(O)O4)C(=O)[C@@H](O)C[C@@H]2OC1CC(C)(O)C(OC(C)=O)C(C)O1
InChIInChI=1S/C34H44O18/c1-12-8-15-20(27-19(12)25(40)29-33(43,51-27)32(42,11-35)34(44,52-29)30(46-6)47-7)24(39)22-21(26(15)45-5)17(9-16(37)23(22)38)50-18-10-31(4,41)28(13(2)48-18)49-14(3)36/h8,13,16-18,25,28-30,35,37,39-44H,9-11H2,1-7H3/t13?,16-,17-,18?,25-,28?,29-,31?,32-,33+,34-/m0/s1
InChIKeyCQPUGZMZSAGHEF-LHMOPZDRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (15745111)
ChEBI Ontology
Outgoing Relation(s)
Trioxacarcin E (CHEBI:201338) is a organic heterotricyclic compound (CHEBI:26979)
Trioxacarcin E (CHEBI:201338) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[6-[[(4R,5S,6R,8S,9S,16S,18S)-6-(dimethoxymethyl)-4,5,6,9,18,21-hexahydroxy-5-(hydroxymethyl)-14-methoxy-11-methyl-19-oxo-3,7-dioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2(10),11,14,20-pentaen-16-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] acetate
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78445085ChemSpider