input word = C00022327

Metabolite InformationStructural formula
Name Phlomisoside II
Formula C32H50O12
Mw 626.33022706
CAS RN 100414-78-6
C_ID C00022327 ,
InChIKey PKWXQLMEMSFVCA-XIQKRLMFNA-N
InChICode InChI=1S/C32H50O12/c1-16-5-8-21-31(2,3)22(9-11-32(21,4)18(16)7-6-17-10-12-40-15-17)43-30-28(26(38)24(36)20(14-34)42-30)44-29-27(39)25(37)23(35)19(13-33)41-29/h10,12,15,19-30,33-39H,5-9,11,13-14H2,1-4H3/t19-,20+,21-,22+,23-,24-,25+,26+,27-,28-,29+,30+,32-/m1/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)CO)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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