input word = C00045717

Metabolite InformationStructural formula
Name Candicanoside A
(-)-Candicanoside A
Formula C39H60O12
Mw 720.40847738
CAS RN 263570-67-8
C_ID C00045717 ,
InChIKey JQQUVDBJJPYFDT-QMTBZZQHNA-N
InChICode InChI=1S/C39H60O12/c1-17(2)12-23-18(3)28-26-14-25-22-7-6-20-13-21(8-10-38(20,5)24(22)9-11-39(25,28)16-46-35(23)49-26)48-37-34(32(44)30(42)27(15-40)50-37)51-36-33(45)31(43)29(41)19(4)47-36/h6,12,18-19,21-37,40-45H,7-11,13-16H2,1-5H3/t18-,19+,21+,22-,23-,24+,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+,36+,37-,38+,39-/m1/s1
SMILES CC(C)=C[C@H]1[C@H]2OC[C@]34CC[C@H]5[C@@H](CC=C6C[C@@H](O[C@@H]7O[C@H](CO)C(O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@@]65C)[C@@H]3C[C@H](O2)[C@@H]4[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHyacinthaceaeGaltonia candicans Ref.
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