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CHEBI:211548 - Aflastatin A

ChEBI IDCHEBI:211548
ChEBI NameAflastatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC62H115NO24
Net Charge0
Average Mass1258.585
Monoisotopic Mass1257.78090
SMILESCCCCCCCCCC(O)C[C@]1(O)O[C@H](CC(O)C(O)C(O)C(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)C(C)C(O)C(C)C(O)C(C)C(O)C(O)CC(C)CC(C)/C=C(C)/C(O)=C2/C(=O)C(C)N(C)C2=O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C62H115NO24/c1-12-13-14-15-16-17-18-19-38(64)28-62(86)60(84)59(83)57(81)47(87-62)27-46(72)56(80)58(82)55(79)45(71)25-40(66)23-39(65)24-41(67)32(5)50(74)33(6)42(68)26-43(69)34(7)51(75)35(8)52(76)36(9)53(77)44(70)22-30(3)20-29(2)21-31(4)49(73)48-54(78)37(10)63(11)61(48)85/h21,29-30,32-47,50-53,55-60,64-77,79-84,86H,12-20,22-28H2,1-11H3/b31-21+,49-48+/t29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47-,50?,51?,52?,53?,55?,56?,57-,58?,59+,60+,62+/m1/s1
InChIKeyVAQYWUJSXJULKR-CFVWPHSWSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (9099219)
ChEBI Ontology
Outgoing Relation(s)
Aflastatin A (CHEBI:211548) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(3E)-3-[(E)-1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-hexadecahydroxy-2,4,6,10,12,14,18,20-octamethyl-32-[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxy-6-(2-hydroxyundecyl)oxan-2-yl]dotriacont-2-enylidene]-1,5-dimethylpyrrolidine-2,4-dione
Manual XrefsDatabases
10291473ChemSpider