input word = C00038452

Metabolite InformationStructural formula
Name Ancorinoside D
(-)-Ancorinoside D
Formula C43H71NO17
Mw 873.47219985
CAS RN 334519-27-6
C_ID C00038452 ,
InChIKey PCXXTTQRAIOBEI-QPLLOYIENA-N
InChICode InChI=1S/C43H71NO17/c1-44-27(25-30(47)48)32(49)31(40(44)55)28(46)23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-58-42-37(54)35(52)38(39(61-42)41(56)57)60-43-36(53)34(51)33(50)29(26-45)59-43/h2,4,27,29,33-39,42-43,45-46,50-54H,3,5-26H2,1H3,(H,47,48)(H,56,57)/b4-2-,31-28+/t27-,29-,33+,34+,35-,36-,37-,38+,39+,42-,43+/m1/s1
SMILES O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1C(=O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O)O)OCCCCCCCCCC/C=C\CCCCCCCCCCC/C(=C/1\C(=O)N([C@@H](C1=O)CC(=O)O)C)/O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Penares sollasi Ref.
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OrganismPenares sollasi
ReferenceNakao,J.Nat.Prod.,70,(2007),689