input word = C00035873

Metabolite InformationStructural formula
Name Salvigreside B
(-)-Salvigreside B
Formula C28H46O9
Mw 526.31418307
CAS RN 798573-82-7
C_ID C00035873 ,
InChIKey RSZZOUVSUWTJFR-ZITFJGPSNA-N
InChICode InChI=1S/C28H46O9/c1-16-7-6-8-21-27(4,11-9-19(14-30)10-12-29)17(2)13-22(28(16,21)5)37-26-25(34)24(33)23(32)20(36-26)15-35-18(3)31/h7,10,17,20-26,29-30,32-34H,6,8-9,11-15H2,1-5H3/b19-10-/t17-,20-,21-,22+,23-,24+,25-,26+,27+,28+/m1/s1
SMILES CC(=O)OC[C@H]1O[C@@H](O[C@H]2C[C@@H](C)[C@](C)(CC/C(=C/CO)CO)[C@H]3CCC=C(C)[C@]23C)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia greggii Ref.
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