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 C1[C@]2([C@H](C([C@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)CO)(C)C)CC(=O)C1=C[C@](CC[C@H]21)(C=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeucas aspera Ref.
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