input word = C00003630

Metabolite InformationStructural formula
Name Lokundjoside
Formula C29H44O10
Mw 552.29344763
CAS RN 6869-51-8
C_ID C00003630 ,
InChIKey WRORFDCUNLGVJF-TXGMTALFNA-N
InChICode InChI=1S/C29H44O10/c1-14-22(32)23(33)24(34)25(38-14)39-16-4-7-26(2)21-18(5-8-28(26,35)11-16)29(36)9-6-17(15-10-20(31)37-13-15)27(29,3)12-19(21)30/h10,14,16-19,21-25,30,32-36H,4-9,11-13H2,1-3H3/t14-,16-,17+,18+,19+,21+,22-,23-,24+,25+,26+,27+,28-,29-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](C[C@H]1O)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeStrophanthus divaricatus Ref.
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