input word = C00059314

Metabolite InformationStructural formula
Name Ecdysterone 25-O-beta-D-glucopyranoside
Formula C33H54O12
Mw 642.36152719
CAS RN 116424-80-7
C_ID C00059314
InChIKey VJAXSGXKVCCJNY-SQFUCQSQSA-N
InChICode InChI=1S/C33H54O12/c1-29(2,45-28-27(41)26(40)25(39)22(15-34)44-28)9-8-24(38)32(5,42)23-7-11-33(43)17-12-19(35)18-13-20(36)21(37)14-30(18,3)16(17)6-10-31(23,33)4/h12,16,18,20-28,34,36-43H,6-11,13-15H2,1-5H3/t16-,18-,20+,21-,22+,23-,24+,25+,26-,27+,28-,30+,31+,32+,33+/m0/s1
SMILES CC(C)(CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeRhaponticum carthamoides Ref.
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