input word = C00003431

Metabolite InformationStructural formula
Name Gnididin
Formula C37H44O10
Mw 648.29344763
CAS RN 55306-11-1
C_ID C00003431 ,
InChIKey OBYWPUMYSJSSFH-NCPJYISQNA-N
InChICode 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
SMILES [C@@H]12[C@]([C@@H]([C@@]3([C@H]([C@H]4[C@@]51[C@@H]([C@H]([C@]1([C@@H]4O[C@](O1)(O5)c1ccccc1)C(=C)C)OC(=O)/C=C/C=C/CCCCC)C)O3)CO)O)(C(=O)C(=C2)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeGnidia lamprantha Ref.
zoom in