input word = C00039991

Metabolite InformationStructural formula
Name Phlomisethanoside
(-)-Phlomisethanoside
Formula C27H34O14
Mw 582.1948558
CAS RN 233761-53-0
C_ID C00039991 ,
InChIKey JCVAJYVLSZBGRV-FWBGOEQJNA-N
InChICode InChI=1S/C27H34O14/c1-36-18-10-15(4-7-17(18)30)24(34)38-12-27(35)13-39-26(23(27)33)41-22-21(32)20(31)19(11-28)40-25(22)37-9-8-14-2-5-16(29)6-3-14/h2-7,10,19-23,25-26,28-33,35H,8-9,11-13H2,1H3/t19-,20-,21+,22-,23+,25-,26+,27-/m1/s1
SMILES C1[C@]([C@H]([C@@H](O1)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCc1ccc(cc1)O)CO)O)O)O)(O)COC(=O)c1cc(c(cc1)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePhlomis grandiflora var. grandiflora Ref.
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OrganismPhlomis grandiflora var. grandiflora
ReferenceTakeda,Phytochem.,51,(1999),323