input word = C00057483

Metabolite InformationStructural formula
Name Neoconvallatoxoloside
Formula C35H54O15
Mw 714.34627106
CAS RN 64766-15-0
C_ID C00057483
InChIKey DGPZFZCNZRLKLF-OUXSSFJMSA-N
InChICode InChI=1S/C35H54O15/c1-16-24(39)27(42)29(50-30-28(43)26(41)25(40)22(13-36)49-30)31(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,16,18-22,24-31,36-37,39-45H,3-10,12-15H2,1-2H3/t16-,18-,19+,20-,21+,22+,24-,25+,26-,27+,28+,29+,30-,31-,32+,33-,34-,35-/m0/s1
SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O[C@@H]3C[C@](CC[C@]4([H])[C@]5([H])CC[C@@]6(C)[C@]4(O)CC[C@]6([H])C7=CC(OC7)=O)(O)[C@]5(CO)CC3)O[C@@H](C)[C@H](O)[C@H]2O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria majalis Ref.
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