input word = C00046408

Metabolite InformationStructural formula
Name Sipholenoside A
(-)-Sipholenoside A
Formula C36H60O8
Mw 620.42881889
CAS RN 329050-22-8
C_ID C00046408 ,
InChIKey HNSOBKBOFOVHBX-XVXZPJGUNA-N
InChICode InChI=1S/C36H60O8/c1-20-10-11-24-23(14-19-36(24,9)44-31-30(40)29(39)28(38)21(2)42-31)32(3,4)22(20)12-13-25-34(7)17-15-26(37)33(5,6)43-27(34)16-18-35(25,8)41/h12,20-21,23-25,27-31,38-41H,10-11,13-19H2,1-9H3/b22-12-/t20-,21+,23-,24-,25-,27-,28+,29-,30-,31+,34-,35+,36-/m1/s1
SMILES CC1CC[C@@H]2[C@@H](CC[C@@]2(C)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)/C1=CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)O[C@@H]2CC[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Siphonochalina siphonella Ref.
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OrganismSiphonochalina siphonella
ReferenceKashman,J.Nat.Prod.,64,(2001),175