input word = C00030662

Metabolite InformationStructural formula
Name Linckoside A
(-)-Linckoside A
Formula C40H68O14
Mw 772.46090688
CAS RN 46357-08-8
C_ID C00030662 ,
InChIKey PELCRPYRGYHBOK-FJEJEGJDNA-N
InChICode InChI=1S/C40H68O14/c1-19(2)21(11-14-51-36-33(48)30(45)26(17-41)54-36)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(42)16-40(27,35)49)53-37-34(50-6)29(44)25(43)18-52-37/h15,19-22,24-37,41-49H,7-14,16-18H2,1-6H3/t20-,21-,22+,24-,25-,26+,27-,28+,29+,30+,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+/m1/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)CC[C@H](CCO[C@H]1O[C@H]([C@@H]([C@@H]1O)O)CO)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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OrganismLinckia laevigata
ReferenceHan,J.Nat.Med.,61,(2007),138