CHEBI:221649 - Epemicin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Epemicin B
ChEBI ID CHEBI:221649
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C70H122N2O27
Net Charge 0
Average Mass 1423.733
Monoisotopic Mass 1422.82350
InChI InChI=1S/C70H122N2O27/c1-14-41(57(81)36(8)51(15-2)95-55-30-69(13,72)65(87)40(12)91-55)19-22-43-21-17-33(5)56(80)35(7)49(77)28-48(76)34(6)47(75)25-44-26-50(78)66(88)70(89,99-44)29-52(32(4)16-20-42(73)24-46(74)31(3)18-23-53(79)94-43)96-68-64(98-67-62(86)61(85)59(83)38(10)92-67)63(60(84)39(11)93-68)97-54-27-45(71)58(82)37(9)90-54/h16-20,22-23,31-32,34-52,54-68,73-78,80-89H,14-15,21,24-30,71-72H2,1-13H3/t31-,32-,34-,35-,36-,37+,38+,39+,40-,41-,42+,43-,44+,45+,46+,47+,48+,49+,50-,51-,52+,54-,55-,56+,57-,58+,59+,60+,61-,62+,63-,64+,65+,66+,67-,68-,69-,70-/m0/s1
InChIKey VNZWETIARFTEAV-GZNXHPRQSA-N
SMILES O=C1O[C@H](C=C[C@@H]([C@@H](O)[C@H]([C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@](C2)(N)C)C)CC)C)CC)CC=C([C@@H](O)[C@H]([C@H](O)C[C@@H](O)[C@H]([C@H](O)C[C@@H]3C[C@@H]([C@H]([C@](C[C@H]([C@H](C=C[C@H](C[C@H]([C@H](C=C1)C)O)O)C)O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)C)O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)N)C)C)(O3)O)O)O)C)C)C
Metabolite of Species Details
Kutzneriaspecies CA-103260 (NCBI:txid2802641) See: PubMed
ChEBI Ontology
Outgoing Epemicin B (CHEBI:221649) is a O-acyl carbohydrate (CHEBI:52782)