CHEBI:80106 - Rimocidine

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ChEBI Name Rimocidine
ChEBI ID CHEBI:80106
Stars This entity has been manually annotated by a third party.
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Formula C39H61NO14
Net Charge 0
Average Mass 767.89990
Monoisotopic Mass 767.40921
InChI InChI=1S/C39H61NO14/c1-4-14-26-17-11-9-7-6-8-10-12-18-27(53-38-35(46)33(40)34(45)23(3)51-38)20-31-32(36(47)48)30(44)22-39(50,54-31)21-25(42)16-13-15-24(41)19-29(43)28(5-2)37(49)52-26/h6-12,18,23,25-35,38,42-46,50H,4-5,13-17,19-22,40H2,1-3H3,(H,47,48)/b7-6+,10-8+,11-9+,18-12+/t23-,25+,26-,27+,28+,29-,30+,31+,32-,33+,34-,35+,38+,39-/m1/s1
InChIKey AWGBZRVEGDNLDZ-JCUCCFEFSA-N
SMILES CCC[C@@H]1C\C=C\C=C\C=C\C=C\[C@@H](C[C@@H]2O[C@@](O)(C[C@H](O)[C@H]2C(O)=O)C[C@@H](O)CCCC(=O)C[C@@H](O)[C@H](CC)C(=O)O1)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O
ChEBI Ontology
Outgoing Rimocidine (CHEBI:80106) is a macrolide (CHEBI:25106)
Manual Xref Database
C15821 KEGG COMPOUND
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Registry Number Type Source
1393-12-0 CAS Registry Number KEGG COMPOUND