input word = C00041630

Metabolite InformationStructural formula
Name Leucasperoside B
Formula C32H50O12
Mw 626.33022706
CAS RN 907595-33-9
C_ID C00041630 ,
InChIKey JPLVFJHIDXDOIR-AXKVPNNLNA-N
InChICode InChI=1S/C32H50O12/c1-6-31(4)9-7-16-15(12-31)17(35)11-20-30(2,3)21(8-10-32(16,20)5)43-29-27(25(39)23(37)19(14-34)42-29)44-28-26(40)24(38)22(36)18(13-33)41-28/h6,12,16,18-29,33-34,36-40H,1,7-11,13-14H2,2-5H3/t16-,18+,19+,20-,21-,22-,23-,24-,25-,26+,27+,28-,29-,31-,32+/m0/s1
SMILES C=C[C@]1(C)C=C2C(=O)C[C@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@H]2CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeucas aspera Ref.
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