input word = C00030663

Metabolite InformationStructural formula
Name Linckoside C
(-)-Linckoside C
Formula C41H70O14
Mw 786.47655695
CAS RN 752260-49-4
C_ID C00030663 ,
InChIKey XAHVHHZPUHYSQI-ZUNLRVLONA-N
InChICode InChI=1S/C41H70O14/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/h14,19-23,25-38,42-50H,8-13,15-18H2,1-7H3/t20-,21-,22+,23+,25-,26+,27-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40-,41+/m1/s1
SMILES CO[C@H]1[C@H](O[C@@H]2C=C3[C@H](O)C[C@@]4(O)[C@@H]5[C@@H](O)[C@H](O)[C@H]([C@H](C)CC[C@@H](C(C)C)[C@H](C)CO[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)OC[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