input word = C00030667

Metabolite InformationStructural formula
Name Linckoside K
(-)-Linckoside K
Formula C39H64O14
Mw 756.42960675
CAS RN 900811-65-6
C_ID C00030667 ,
InChIKey HIIDIXVSFQSSFA-GCJADGHCNA-N
InChICode InChI=1S/C39H64O14/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/h7-8,13,18-21,23-36,40-48H,9-12,14-17H2,1-6H3/b8-7+/t19-,20+,21-,23+,24+,25-,26+,27-,28-,29-,30+,31-,32-,33+,34+,35+,36-,37-,38+,39-/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](CO[C@@H]1O[C@@H](CO)[C@@H]([C@@H]1O)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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