input word = C00000686

Metabolite InformationStructural formula
Name (-)-7'-Hydroxylappaol E
Formula C30H34O11
Mw 570.21011193
CAS RN 189194-13-6
C_ID C00000686 ,
InChIKey HGOIMQDHOKLUIQ-YFYLYLEFNA-N
InChICode InChI=1S/C30H34O11/c1-37-24-11-16(4-7-21(24)32)10-19-20(15-40-30(19)36)28(34)17-6-9-23(26(13-17)39-3)41-27(14-31)29(35)18-5-8-22(33)25(12-18)38-2/h4-9,11-13,19-20,27-29,31-35H,10,14-15H2,1-3H3/t19-,20+,27+,28+,29+/m1/s1
SMILES COc1cc(C[C@H]2C(=O)OC[C@@H]2[C@@H](O)c2ccc(O[C@@H](CO)[C@@H](O)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaeTsuga heterophylla Ref.
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