input word = C00030665

Metabolite InformationStructural formula
Name Linckoside E
(-)-Linckoside E
Formula C39H66O14
Mw 758.44525682
CAS RN 752260-51-8
C_ID C00030665 ,
InChIKey RXEVFYIKXANEMM-WJZGPBMSNA-N
InChICode InChI=1S/C39H66O14/c1-18(2)20(16-50-35-32(47)29(44)25(15-40)53-35)8-7-19(3)27-30(45)31(46)34-38(27,5)12-10-26-37(4)11-9-21(13-22(37)23(41)14-39(26,34)48)52-36-33(49-6)28(43)24(42)17-51-36/h13,18-21,23-36,40-48H,7-12,14-17H2,1-6H3/t19-,20-,21+,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34-,35-,36+,37+,38-,39+/m1/s1
SMILES CO[C@H]1[C@H](O[C@@H]2C=C3[C@H](O)C[C@@]4(O)[C@@H]5[C@@H](O)[C@H](O)[C@H]([C@H](C)CC[C@H](CO[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)C)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)OC[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaOphidiasteridaeLinckia laevigata Ref.
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OrganismLinckia laevigata
ReferenceHan,J.Nat.Med.,61,(2007),138