input word = C00030668

Metabolite InformationStructural formula
Name Linckoside M
(-)-Linckoside M
Formula C39H64O14
Mw 756.42960675
CAS RN 947322-80-7
C_ID C00030668 ,
InChIKey OOJRJXRJAASSJR-WMSMLCNRNA-N
InChICode InChI=1S/C39H64O14/c1-18(20(3)15-50-35-32(47)28(43)24(41)16-51-35)7-8-19(2)27-30(45)31(46)34-38(27,5)12-10-26-37(4)11-9-21(13-22(37)23(40)14-39(26,34)48)53-36-33(49-6)29(44)25(42)17-52-36/h7-8,13,18-21,23-36,40-48H,9-12,14-17H2,1-6H3/b8-7+/t18-,19+,20-,21+,23-,24-,25-,26-,27+,28-,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+/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)/C=C/[C@H]([C@@H](CO[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)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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