input word = C00054365

Metabolite InformationStructural formula
Name 23-cis-p-Coumaroyloxytormentic acid
Formula C39H54O8
Mw 650.3818687
CAS RN 144604-15-9
C_ID C00054365
InChIKey SWEBUECVVVXRRV-ODEFISLNSA-N
InChICode InChI=1S/C39H54O8/c1-23-15-18-39(33(44)45)20-19-36(4)26(31(39)38(23,6)46)12-13-29-34(2)21-27(41)32(43)35(3,28(34)16-17-37(29,36)5)22-47-30(42)14-9-24-7-10-25(40)11-8-24/h7-12,14,23,27-29,31-32,40-41,43,46H,13,15-22H2,1-6H3,(H,44,45)/b14-9-/t23-,27-,28-,29-,31-,32+,34+,35+,36-,37-,38-,39+/m1/s1
SMILES O=C(/C=CC1=CC=C(O)C=C1)OC[C@]2(C)[C@@H](O)[C@H](O)C[C@@]3(C)[C@@]2([H])CC[C@]4(C)[C@]3([H])CC=C5[C@@]4(C)CC[C@]6(C(O)=O)[C@@]5([H])[C@](C)(O)[C@H](C)CC6
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaeEriobotrya japonica Ref.
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