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CHEBI:5512 - Gnidicin

ChEBI IDCHEBI:5512
ChEBI NameGnidicin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC36H36O10
Net Charge0
Average Mass628.674
Monoisotopic Mass628.23085
SMILES[H][C@@]12C=C(C)C(=O)[C@@]1(O)[C@H](O)[C@@]1(CO)O[C@@]1([H])[C@@]1([H])[C@H]3OC4(c5ccccc5)O[C@@]3(C(=C)C)[C@H](OC(=O)/C=C/c3ccccc3)[C@@H](C)[C@]21O4
InChIInChI=1S/C36H36O10/c1-19(2)34-28(42-25(38)16-15-22-11-7-5-8-12-22)21(4)35-24-17-20(3)27(39)33(24,41)31(40)32(18-37)29(43-32)26(35)30(34)44-36(45-34,46-35)23-13-9-6-10-14-23/h5-17,21,24,26,28-31,37,40-41H,1,18H2,2-4H3/b16-15+/t21-,24-,26+,28-,29+,30-,31-,32+,33-,34+,35+,36?/m1/s1
InChIKeyOTTFLYUONKAFGT-OYSGWTEZSA-N
ChEBI Ontology
Outgoing Relation(s)
Gnidicin (CHEBI:5512) is a diterpenoid (CHEBI:23849)
Synonym  Source
GnidicinKEGG COMPOUND
Manual XrefsDatabases
C09095KEGG COMPOUND
C00003430KNApSAcK
Registry NumbersSources
CAS:55319-39-6KEGG COMPOUND