CHEBI:5512 - Gnidicin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Gnidicin
ChEBI ID CHEBI:5512
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H36O10
Net Charge 0
Average Mass 628.666
Monoisotopic Mass 628.23085
InChI InChI=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
InChIKey OTTFLYUONKAFGT-OYSGWTEZSA-N
SMILES C[C@@H]1[C@@H](OC(=O)\C=C\c2ccccc2)[C@@]2(OC3(O[C@@H]2[C@@H]2[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)c1ccccc1)C(C)=C
ChEBI Ontology
Outgoing Gnidicin (CHEBI:5512) is a diterpenoid (CHEBI:23849)
Synonym Source
Gnidicin KEGG COMPOUND
Manual Xrefs Databases
C00003430 KNApSAcK
C09095 KEGG COMPOUND
View more database links
Registry Number Type Source
55319-39-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014