input word = C00033731

Metabolite InformationStructural formula
Name Crepidialanceoside B
(-)-Crepidialanceoside B
Formula C29H36O11
Mw 560.22576199
CAS RN 481636-43-5
C_ID C00033731 ,
InChIKey VKVWKJOINFYMQJ-SUBRQUSRNA-N
InChICode InChI=1S/C29H36O11/c1-13-9-19(31)22-14(2)28(36)40-27(22)23-16(5-8-18(13)23)11-38-29-26(35)25(34)24(33)20(39-29)12-37-21(32)10-15-3-6-17(30)7-4-15/h3-7,14,19-20,22-27,29-31,33-35H,8-12H2,1-2H3/t14-,19-,20+,22+,23-,24+,25-,26+,27-,29+/m0/s1
SMILES CC1=C2CC=C(CO[C@@H]3O[C@H](COC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](O)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCrepidiastrum lanceolatum NAKAI Ref.
zoom in