input word = C00056594

Metabolite InformationStructural formula
Name Diosbulbiside A
Formula C39H62O14
Mw 754.41395669
CAS RN 1193603-16-5
C_ID C00056594
InChIKey HDTSOOVLWKQUMX-NVNZNZKRSA-N
InChICode InChI=1S/C39H62O14/c1-18-27(41)29(43)30(44)33(49-18)52-32-28(42)25(16-40)51-34(31(32)45)50-21-8-10-36(4)20(14-21)6-7-22-23(36)9-11-37(5)24(22)15-26-39(37,47)19(2)38(53-26)13-12-35(3,46)17-48-38/h14,18-19,21-34,40-47H,6-13,15-17H2,1-5H3/t18-,19+,21-,22+,23-,24-,25+,26-,27-,28+,29+,30+,31+,32-,33-,34+,35-,36-,37-,38+,39+/m0/s1
SMILES C[C@@]12C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])C[C@@]5([H])[C@]4(O)[C@H](C)[C@]6(OC[C@@](C)(O)CC6)O5)=C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H]7O)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea bulbifera Ref.
zoom in