input word = C00003614

Metabolite InformationStructural formula
Name Decoside
Formula C30H42O9
Mw 546.28288294
CAS RN 111508-63-5
C_ID C00003614 ,
InChIKey QKBSRWIVHXFMNA-YSNUUBLANA-N
InChICode InChI=1S/C30H42O9/c1-15-25(32)21(36-4)13-23(38-15)39-18-7-9-28(2)17(12-18)5-6-20-24(28)26(33)27(34)29(3)19(8-10-30(20,29)35)16-11-22(31)37-14-16/h11,15,17-21,23,25,32-33,35H,5-10,12-14H2,1-4H3/t15-,17+,18-,19+,20+,21+,23+,25+,28-,29-,30-/m0/s1
SMILES COC1C[C@H](O[C@H]2CC[C@]3(C)C4=C(O)C(=O)[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)OC(C)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeStrophanthus divaricatus Ref.
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