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CHEBI:203540 - Trioxacarcin F

ChEBI IDCHEBI:203540
ChEBI NameTrioxacarcin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H56O22
Net Charge0
Average Mass912.888
Monoisotopic Mass912.32632
SMILESCOc1c2c(c(O)c3c4c(c(C)cc13)C(O)[C@@H]1O[C@](O)(C(OC)OC)C(O)(CO)C1(OC1CC(O)C(O)(C(C)=O)C(C)O1)O4)C(=O)C(O)CC2OC1CC(C)(O)C(OC(C)=O)C(C)O1
InChIInChI=1S/C42H56O22/c1-15-10-20-27(31(49)29-28(33(20)55-7)22(11-21(46)30(29)48)61-25-13-38(6,51)35(16(2)58-25)60-19(5)45)34-26(15)32(50)36-42(63-34,39(52,14-43)41(54,64-36)37(56-8)57-9)62-24-12-23(47)40(53,17(3)44)18(4)59-24/h10,16,18,21-25,32,35-37,43,46-47,49-54H,11-14H2,1-9H3/t16?,18?,21?,22?,23?,24?,25?,32?,35?,36-,38?,39?,40?,41+,42?/m0/s1
InChIKeyNMAGTQYUIUDCEW-ZGZWJCMRSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (15745111)
ChEBI Ontology
Outgoing Relation(s)
Trioxacarcin F (CHEBI:203540) is a organic heterotricyclic compound (CHEBI:26979)
Trioxacarcin F (CHEBI:203540) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[6-[[(6S,8S)-4-(5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl)oxy-6-(dimethoxymethyl)-5,6,9,18,21-pentahydroxy-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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78445117ChemSpider