input word = C00010743

Metabolite InformationStructural formula
Name Cantleyoside
Formula C33H46O19
Mw 746.26332929
CAS RN 32455-46-2
C_ID C00010743 ,
InChIKey GXXXVFMBJGIYPK-QGPDVHJONA-N
InChICode InChI=1S/C33H46O19/c1-4-13-14(5-6-34)16(10-46-30(13)51-32-26(41)24(39)22(37)19(8-35)49-32)29(44)48-18-7-15-17(28(43)45-3)11-47-31(21(15)12(18)2)52-33-27(42)25(40)23(38)20(9-36)50-33/h4,6,10-15,18-27,30-33,35-42H,1,5,7-9H2,2-3H3/t12-,13-,14-,15+,18-,19+,20-,21-,22-,23-,24+,25+,26-,27-,30+,31-,32-,33-/m0/s1
SMILES [C@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)O[C@@H]1[C@H]([C@@H](C(=CO1)C(=O)O[C@@H]1[C@@H]([C@@H]2[C@@H](OC=C([C@H]2C1)C(=O)OC)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)C)CC=O)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeDipsacus asper Ref.
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeScabiosa japonica Ref.
PlantaeLonganiaceaeStrychnos axillaris Ref.
PlantaeLonganiaceaeStrychnos lucida Ref.
PlantaeLonganiaceaeStrychnos spinosa Ref.
PlantaeStemonuraceaeCantleya corniculata Ref.
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