CHEBI:5514 - Gnididin

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ChEBI Name Gnididin
ChEBI ID CHEBI:5514
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C37H44O10
Net Charge 0
Average Mass 648.741
Monoisotopic Mass 648.29345
InChI InChI=1S/C37H44O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h10-19,23,25,27,29-32,38,41-42H,2,6-9,20H2,1,3-5H3/b11-10+,18-15+/t23-,25-,27+,29-,30+,31-,32-,33+,34-,35+,36+,37?/m1/s1
InChIKey OBYWPUMYSJSSFH-GCWWINTLSA-N
SMILES CCCCC\C=C\C=C\C(=O)O[C@@H]1[C@@H](C)[C@@]23OC4(O[C@H]([C@@H]2[C@@H]2O[C@]2(CO)[C@@H](O)[C@@]2(O)[C@H]3C=C(C)C2=O)[C@]1(O4)C(C)=C)c1ccccc1
ChEBI Ontology
Outgoing Gnididin (CHEBI:5514) is a diterpenoid (CHEBI:23849)
Synonym Source
Gnididin KEGG COMPOUND
Manual Xrefs Databases
C00003431 KNApSAcK
C09096 KEGG COMPOUND
View more database links
Registry Number Type Source
55306-11-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014