CHEBI:80016 - Chalcomycin

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ChEBI Name Chalcomycin
ChEBI ID CHEBI:80016
Stars This entity has been manually annotated by a third party.
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Formula C35H56O14
Net Charge 0
Average Mass 700.81070
Monoisotopic Mass 700.36701
InChI InChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17-,18-,19+,20+,21+,22+,23+,24-,27+,28+,29+,30+,31+,32+,33-,34+,35-/m0/s1
InChIKey KLGADJPDTCIJLO-LJUCOGSUSA-N
SMILES CO[C@H]1C[C@@H](C)O[C@@H](O[C@H]2[C@@H](C)C[C@](C)(O)C(=O)\C=C\[C@H]3O[C@@H]3[C@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)[C@@H](C)OC(=O)\C=C\[C@@H]2C)[C@@H]1O
ChEBI Ontology
Outgoing Chalcomycin (CHEBI:80016) is a macrolide (CHEBI:25106)
Manual Xref Database
C15678 KEGG COMPOUND
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Registry Number Type Source
20283-48-1 CAS Registry Number KEGG COMPOUND