input word = C00056534

Metabolite InformationStructural formula
Name Loquatifolin A
Formula C39H66O18
Mw 822.42491531
CAS RN 116174-69-7
C_ID C00056534
InChIKey RTDSIIMUYUALQO-YAGLATOMSA-N
InChICode InChI=1S/C39H66O18/c1-9-39(8,15-11-14-18(4)13-10-12-17(2)3)57-38-34(28(45)25(42)22(54-38)16-50-35-30(47)26(43)23(40)19(5)51-35)56-37-32(49)29(46)33(21(7)53-37)55-36-31(48)27(44)24(41)20(6)52-36/h9,12,14,19-38,40-49H,1,10-11,13,15-16H2,2-8H3/b18-14+/t19-,20-,21-,22+,23-,24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36-,37-,38-,39+/m0/s1
SMILES C[C@@H]([C@H](O)[C@@H](O)[C@H]1O)O[C@H]1O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](O[C@@](C=C)(C)CC/C=C(C)/CC/C=C(C)/C)O[C@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeEriobotrya japonica Ref.
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