input word = C00030669

Metabolite InformationStructural formula
Name Linckoside N
(-)-Linckoside N
Formula C40H66O14
Mw 770.44525682
CAS RN 947322-81-8
C_ID C00030669 ,
InChIKey LGIFXCQRVFKRIO-PTIRNYMZNA-N
InChICode InChI=1S/C40H66O14/c1-7-21(20(3)16-51-36-33(48)29(44)25(42)17-52-36)9-8-19(2)28-31(46)32(47)35-39(28,5)13-11-27-38(4)12-10-22(14-23(38)24(41)15-40(27,35)49)54-37-34(50-6)30(45)26(43)18-53-37/h8-9,14,19-22,24-37,41-49H,7,10-13,15-18H2,1-6H3/b9-8+/t19-,20+,21+,22-,24+,25-,26+,27+,28-,29+,30-,31+,32-,33+,34+,35+,36-,37-,38-,39+,40-/m0/s1
SMILES CC[C@H](/C=C/[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(O)C[C@@H](O)C2=C[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC)CC[C@@]21C)[C@H](C)CO[C@@H]1OC[C@@H](O)[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