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CHEBI:220902 - Aflastatin B

ChEBI IDCHEBI:220902
ChEBI NameAflastatin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC61H113NO24
Net Charge0
Average Mass1244.558
Monoisotopic Mass1243.76525
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)NC(C)C2=O)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C61H113NO24/c1-11-12-13-14-15-16-17-18-37(63)27-61(85)59(83)58(82)56(80)46(86-61)26-45(71)55(79)57(81)54(78)44(70)24-39(65)22-38(64)23-40(66)31(5)49(73)32(6)41(67)25-42(68)33(7)50(74)34(8)51(75)35(9)52(76)43(69)21-29(3)19-28(2)20-30(4)48(72)47-53(77)36(10)62-60(47)84/h20,28-29,31-46,49-52,54-59,63-76,78-83,85H,11-19,21-27H2,1-10H3,(H,62,84)/b30-20+,48-47+/t28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46-,49?,50?,51?,52?,54?,55?,56-,57?,58+,59+,61+/m1/s1
InChIKeyUEBSTAVTZMKVSQ-JYDJXOKVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9918395)
ChEBI Ontology
Outgoing Relation(s)
Aflastatin B (CHEBI:220902) 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]-5-methylpyrrolidine-2,4-dione
Manual XrefsDatabases
78445301ChemSpider