input word = C00022326

Metabolite InformationStructural formula
Name Phlomisoside I
Formula C32H50O11
Mw 610.33531244
CAS RN 100414-77-5
C_ID C00022326 ,
InChIKey ALWVUHVDXFJMFP-WKBZSQLTNA-N
InChICode InChI=1S/C32H50O11/c1-16-6-9-21-31(3,4)22(10-12-32(21,5)19(16)8-7-18-11-13-39-15-18)42-30-28(26(37)23(34)17(2)40-30)43-29-27(38)25(36)24(35)20(14-33)41-29/h11,13,15,17,20-30,33-38H,6-10,12,14H2,1-5H3/t17-,20-,21+,22-,23-,24+,25-,26-,27+,28-,29-,30-,32+/m0/s1
SMILES C1[C@@H](C([C@@H]2[C@](C1)(C(=C(CC2)C)CCc1cocc1)C)(C)C)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePhlomis betonicoides Ref.
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