CHEBI:80045 - Myxochromide S2

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ChEBI Name Myxochromide S2
ChEBI ID CHEBI:80045
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C39H56N6O8
Net Charge 0
Average Mass 736.89730
Monoisotopic Mass 736.416
InChI InChI=1S/C39H56N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(47)45(7)34-29(6)53-39(52)30(23-24-32(40)46)43-36(49)28(5)41-35(48)27(4)42-37(50)31(25-26(2)3)44-38(34)51/h9-22,26-31,34H,8,23-25H2,1-7H3,(H2,40,46)(H,41,48)(H,42,50)(H,43,49)(H,44,51)/b10-9+,12-11+,14-13+,16-15+,18-17+,20-19+,22-21+/t27-,28-,29+,30-,31-,34-/m0/s1
InChIKey XDRGEWSCPMOTER-NDSCBTMZSA-N
SMILES CC\C=C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)N(C)[C@H]1[C@@H](C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC1=O
ChEBI Ontology
Outgoing Myxochromide S2 (CHEBI:80045) is a cyclodepsipeptide (CHEBI:35213)
Database Link Database
C15715 KEGG COMPOUND
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