input word = C00030664

Metabolite InformationStructural formula
Name Linckoside D
(-)-Linckoside D
Formula C41H68O14
Mw 784.46090688
CAS RN 752260-50-7
C_ID C00030664 ,
InChIKey NYUXWEPIGQEPET-KISMDMPMNA-N
InChICode InChI=1S/C41H68O14/c1-19(2)23(21(4)16-52-37-34(49)30(45)26(43)17-53-37)9-8-20(3)29-32(47)33(48)36-40(29,6)13-11-28-39(5)12-10-22(14-24(39)25(42)15-41(28,36)50)55-38-35(51-7)31(46)27(44)18-54-38/h8-9,14,19-23,25-38,42-50H,10-13,15-18H2,1-7H3/b9-8+/t20-,21+,22-,23-,25+,26+,27+,28+,29-,30+,31-,32+,33-,34+,35+,36+,37-,38-,39-,40+,41-/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]([C@@H](CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)C)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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