CHEBI:82006 - Mycinamicin I

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ChEBI Name Mycinamicin I
ChEBI ID CHEBI:82006
Stars This entity has been manually annotated by a third party.
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Formula C37H61NO12
Net Charge 0
Average Mass 711.87970
Monoisotopic Mass 711.419
InChI InChI=1S/C37H61NO12/c1-11-27-24(18-45-37-35(44-10)34(43-9)30(41)23(6)47-37)33-28(49-33)14-13-26(39)20(3)16-21(4)32(19(2)12-15-29(40)48-27)50-36-31(42)25(38(7)8)17-22(5)46-36/h12-15,19-25,27-28,30-37,41-42H,11,16-18H2,1-10H3/b14-13+,15-12+/t19-,20+,21-,22+,23+,24+,25-,27+,28+,30+,31+,32+,33+,34+,35+,36-,37+/m0/s1
InChIKey QABCJBNUVVMWAL-QBPANRIESA-N
SMILES CC[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\[C@H]2O[C@@H]2[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
ChEBI Ontology
Outgoing Mycinamicin I (CHEBI:82006) is a macrolide (CHEBI:25106)
Manual Xref Database
C18845 KEGG COMPOUND
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Registry Number Type Source
73665-15-3 CAS Registry Number KEGG COMPOUND