input word = C00031276

Metabolite InformationStructural formula
Name Salviadienol B
Formula C28H42O11
Mw 554.27271219
CAS RN 1064085-09-1
C_ID C00031276 ,
InChIKey AMEGJGMXMRBPRX-DKLPFKOYNA-N
InChICode InChI=1S/C28H42O11/c1-15-10-9-11-23(14-36-20(6)30)12-24(33)25(16(2)13-35-19(5)29)27(38-22(8)32)26(15)39-28(34)17(3)18(4)37-21(7)31/h10,12,16-18,24-27,33H,9,11,13-14H2,1-8H3/b15-10+,23-12-/t16-,17+,18-,24-,25+,26+,27+/m1/s1
SMILES CC(=O)OC/C1=C[C@H](O)[C@H](C(C)COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C(C)OC(C)=O)/C(C)=C/CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia chinensis Ref.
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OrganismSalvia chinensis
ReferenceWang,Chem.Pharm.Bull.,56,(2008),843