input word = C00030670

Metabolite InformationStructural formula
Name Linckoside O
(-)-Linckoside O
Formula C40H66O14
Mw 770.44525682
CAS RN 940912-23-2
C_ID C00030670 ,
InChIKey LBTRIKYXBLFNPN-WCIGQEQINA-N
InChICode InChI=1S/C40H66O14/c1-19(2)21(11-14-51-36-33(48)29(44)25(42)17-52-36)8-7-20(3)28-31(46)32(47)35-39(28,5)13-10-27-38(4)12-9-22(15-23(38)24(41)16-40(27,35)49)54-37-34(50-6)30(45)26(43)18-53-37/h7-8,15,19-22,24-37,41-49H,9-14,16-18H2,1-6H3/b8-7+/t20-,21+,22-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33+,34+,35+,36+,37-,38-,39+,40-/m0/s1
SMILES C1[C@@H](C=C2[C@](C1)([C@@H]1[C@@](C[C@H]2O)([C@H]2[C@](CC1)([C@H]([C@H]([C@@H]2O)O)[C@@H](C)/C=C/[C@H](CCO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)C(C)C)C)O)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaOphidiasteridaeLinckia laevigata Ref.
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