input word = C00039627

Metabolite InformationStructural formula
Name Liouvilloside A
(-)-Liouvilloside A
Formula C56H88O32S3
Mw 1368.44208291
CAS RN 347894-57-9
C_ID C00039627 ,
InChIKey LTOISTQOWWBVNP-AURMYFDFNA-N
InChICode InChI=1S/C56H88O32S3/c1-24(2)12-11-17-55(9)46-29(80-26(4)57)20-54(8)28-13-14-33-52(5,6)34(16-18-53(33,7)27(28)15-19-56(46,54)51(65)87-55)83-50-45(37(60)32(21-76-50)88-91(72,73)74)86-47-39(62)38(61)42(25(3)79-47)84-49-41(64)44(36(59)31(82-49)23-78-90(69,70)71)85-48-40(63)43(75-10)35(58)30(81-48)22-77-89(66,67)68/h12-13,25,27,29-50,58-64H,11,14-23H2,1-10H3,(H,66,67,68)(H,69,70,71)(H,72,73,74)/t25-,27+,29+,30-,31-,32-,33+,34+,35-,36-,37+,38-,39-,40-,41-,42-,43+,44+,45-,46-,47+,48+,49+,50+,53-,54+,55+,56-/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1C(=CC2)[C@]2([C@]3(CC1)[C@H]([C@H](C2)OC(=O)C)[C@@](OC3=O)(CCC=C(C)C)C)C)C)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O)COS(=O)(=O)O)O)COS(=O)(=O)O)O)O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Staurocucumis liouviellei Ref.
--Staurocucumis liouvillei Ref.
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OrganismStaurocucumis liouvillei
ReferenceMaier,J.Nat.Prod.,64,(2001),732