CHEBI:80700 - Discodermolide

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ChEBI Name Discodermolide
ChEBI ID CHEBI:80700
Stars This entity has been manually annotated by a third party.
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Formula C33H55NO8
Net Charge 0
Average Mass 593.79170
Monoisotopic Mass 593.393
InChI InChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,31-/m0/s1
InChIKey AADVCYNFEREWOS-OBRABYBLSA-N
SMILES C[C@@H](C\C(C)=C/[C@H](C)[C@@H](O)[C@@H](C)\C=C/[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C)[C@@H](O)[C@H](C)[C@@H](OC(N)=O)[C@@H](C)\C=C/C=C
ChEBI Ontology
Outgoing Discodermolide (CHEBI:80700) is a diterpenoid (CHEBI:23849)
Manual Xref Database
C16746 KEGG COMPOUND
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Registry Number Type Source
127943-53-7 CAS Registry Number KEGG COMPOUND