input word = C00042254

Metabolite InformationStructural formula
Name Aurantoside H
(-)-Aurantoside H
Formula C28H35ClN2O12
Mw 626.18785231
CAS RN 845553-23-3
C_ID C00042254 ,
InChIKey LIMKXWLGCNDCHO-SEYYDKFENA-N
InChICode InChI=1S/C28H35ClN2O12/c1-14(29)9-7-5-3-2-4-6-8-10-16(32)20-21(36)15(11-19(30)35)31(26(20)40)27-25(23(38)18(34)12-41-27)43-28-24(39)22(37)17(33)13-42-28/h2-10,15,17-18,22-25,27-28,32-34,37-39H,11-13H2,1H3,(H2,30,35)/b3-2+,6-4+,7-5+,10-8+,14-9-,20-16-/t15-,17+,18+,22+,23+,24-,25+,27-,28-/m0/s1
SMILES [C@@H]1(C(=O)/C(=C(\C=C\C=C\C=C\C=C\C=C(/C)\Cl)/O)/C(=O)N1[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O)CC(=O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
--Theonella swinhoei Ref.
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