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CHEBI:189650 - Ternatin 4 (DA3)

Default Structure
ChEBI IDCHEBI:189650
ChEBI NameTernatin 4 (DA3)
Stars
Submitterjinyangd
DownloadsMolfile
FormulaC60H65O34
Net Charge+1
Average Mass1330.146
Monoisotopic Mass1329.33518
SMILES[H]OC(=O)C([H])([H])C(=O)OC([H])([H])[C@@]1([H])O[C@@]([H])(Oc2c(-c3c([H])c(O[C@]4([H])O[C@]([H])(C([H])([H])OC(=O)/C([H])=C(\[H])c5c([H])c([H])c(O[H])c([H])c5[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])c(O[H])c(O[C@]4([H])O[C@]([H])(C([H])([H])OC(=O)/C([H])=C(\[H])c5c([H])c([H])c(O[C@]6([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]6([H])O[H])c([H])c5[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])c3[H])[o+]c3c([H])c(O[H])c([H])c(O[H])c3c2[H])C([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C60H64O34/c61-19-35-44(71)48(75)52(79)57(91-35)86-28-9-3-24(4-10-28)6-12-41(68)84-21-37-46(73)50(77)54(81)59(93-37)89-33-14-25(13-32(43(33)70)88-58-53(80)49(76)45(72)36(92-58)20-83-40(67)11-5-23-1-7-26(62)8-2-23)56-34(17-29-30(64)15-27(63)16-31(29)87-56)90-60-55(82)51(78)47(74)38(94-60)22-85-42(69)18-39(65)66/h1-17,35-38,44-55,57-61,71-82H,18-22H2,(H4-,62,63,64,65,66,67,70)/p+1/b12-6+/t35-,36-,37-,38-,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54-,55?,57-,58-,59-,60-/m1/s1
InChIKeyLPANCZMXTVCHJO-YHXPGJEVSA-O
ChEBI Ontology
Outgoing Relation(s)
Ternatin 4 (DA3) (CHEBI:189650) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
11981715ChemIDplus