input word = C00030021

Metabolite InformationStructural formula
Name Crassirhizomoside B
Formula C31H34O16
Mw 662.18468504
CAS RN 349654-86-0
C_ID C00030021 ,
InChIKey IPGJIFQOAOSONQ-HUYVCWGVNA-N
InChICode InChI=1S/C31H34O16/c1-11-21(36)23(38)24(39)30(41-11)45-17-9-18(35)20-19(10-17)46-27(15-5-7-16(34)8-6-15)28(22(20)37)47-31-25(40)29(44-14(4)33)26(12(2)42-31)43-13(3)32/h5-12,21,23-26,29-31,34-36,38-40H,1-4H3/t11-,12-,21-,23+,24+,25+,26-,29-,30-,31-/m0/s1
SMILES CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc(O)c3c2=O)O[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDryopteridaceaeDryopteris crassirhizoma Ref.
zoom in