input word = C00003625

Metabolite InformationStructural formula
Name Helveticoside
Formula C29H42O9
Mw 534.28288294
CAS RN 630-64-8
C_ID C00003625 ,
InChIKey QBILRDAMJUPXCX-BSAPTFCMNA-N
InChICode InChI=1S/C29H42O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,15-16,18-22,24-25,31,33-35H,3-10,12-14H2,1-2H3/t16-,18+,19-,20+,21-,22-,24-,25+,26-,27+,28+,29+/m1/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C=O)O)O[C@@H]1C[C@H]([C@H]([C@H](O1)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeErysimum cheiranthoides Ref.
PlantaeCruciferaeErysimum crepidifolium Ref.
PlantaeCruciferaeErysimum diffusum Ref.
PlantaeCruciferaeErysimum helveticum Ref.
PlantaeCruciferaeHesperis matronalis Ref.
zoom in