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CHEBI:206639 - Chattamycin B

ChEBI IDCHEBI:206639
ChEBI NameChattamycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC53H74O24
Net Charge0
Average Mass1095.151
Monoisotopic Mass1094.45700
SMILESCOC1CC(OC2CC(OC3C(O)CC(OC4CC(c5ccc6c(c5O)C(=O)C5=C(C6=O)[C@]6(O)[C@H](OC7CC(OC)C(O)C(C)O7)C=C(C)C[C@]6(O)[C@@H](OC(C)=O)[C@@H]5O)OC(C)C4O)OC3C)OC(C)C2O)OC(C)C1O
InChIInChI=1S/C53H74O24/c1-19-12-34(76-37-16-31(67-9)43(57)22(4)70-37)53(65)41-40(49(63)51(73-25(7)54)52(53,64)18-19)48(62)39-27(47(41)61)11-10-26(46(39)60)29-14-32(44(58)20(2)68-29)74-35-13-28(55)50(24(6)72-35)77-38-17-33(45(59)23(5)71-38)75-36-15-30(66-8)42(56)21(3)69-36/h10-12,20-24,28-38,42-45,49-51,55-60,63-65H,13-18H2,1-9H3/t20?,21?,22?,23?,24?,28?,29?,30?,31?,32?,33?,34-,35?,36?,37?,38?,42?,43?,44?,45?,49-,50?,51+,52+,53-/m1/s1
InChIKeySFLHFCULYUUTLC-QYVNVUHISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25511454)
ChEBI Ontology
Outgoing Relation(s)
Chattamycin B (CHEBI:206639) is a anthraquinone (CHEBI:22580)
Chattamycin B (CHEBI:206639) is a glycoside (CHEBI:24400)
IUPAC Name 
[(1R,4aS,5S,6R,12bS)-4a,6,8,12b-tetrahydroxy-9-[5-hydroxy-4-[4-hydroxy-5-[5-hydroxy-4-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-1-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3-methyl-7,12-dioxo-1,4,5,6-tetrahydrobenzo[a]anthracen-5-yl] acetate