input word = C00054063

Metabolite InformationStructural formula
Name Coroloside
Formula C35H54O12
Mw 666.36152719
CAS RN 57361-71-4
C_ID C00054063
InChIKey BKLVUVLBSZAKIF-XXAGUREBSA-N
InChICode InChI=1S/C35H54O12/c1-17-31(47-32-30(41)29(40)28(39)25(15-36)46-32)24(37)14-27(44-17)45-20-6-9-33(2)19(13-20)4-5-23-22(33)7-10-34(3)21(8-11-35(23,34)42)18-12-26(38)43-16-18/h12,17,19-25,27-32,36-37,39-42H,4-11,13-16H2,1-3H3/t17-,19-,20+,21-,22+,23-,24+,25-,27+,28-,29+,30-,31+,32+,33+,34-,35+/m1/s1
SMILES C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)CC[C@]43O)C2)C[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeCorchorus olitorius Ref.
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