input word = C00055721

Metabolite InformationStructural formula
Name arvenin II
Formula C38H58O13
Mw 722.38774194
CAS RN 65247-28-1
C_ID C00055721
InChIKey KSENPDOZJGRJHR-GPWVBDSWSA-N
InChICode InChI=1S/C38H58O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,20-24,27-30,32,39,41,44-46,48H,11-17H2,1-9H3/t20-,21-,22+,23-,24+,27-,28+,29-,30+,32-,35+,36-,37+,38+/m1/s1
SMILES O[C@H]1[C@H](O[C@@H]2C(C(C)(C)C3=CC[C@]([C@@](C[C@@H](O)[C@]4([H])[C@@](C)(O)C(CCC(C)(C)OC(C)=O)=O)(C)[C@]4(C)CC5=O)([H])[C@]5(C)[C@]3([H])C2)=O)O[C@H](CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeAnagallis arvensis Ref.
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