input word = C00038032

Metabolite InformationStructural formula
Name Yunnaneic acid F
(+)-Yunnaneic acid F
Formula C29H26O14
Mw 598.13225554
CAS RN 199433-61-9
C_ID C00038032 ,
InChIKey WBHJCHGJGDMNFI-CJFJFKMPNA-N
InChICode InChI=1S/C29H26O14/c30-16-4-1-12(7-18(16)32)8-20(26(36)37)42-21(34)6-3-14-9-15-23(13-2-5-17(31)19(33)10-13)24(27(38)39)25(14)29(41)28(15,40)11-22(35)43-29/h1-7,9-10,15,20,23-25,30-33,40-41H,8,11H2,(H,36,37)(H,38,39)/b6-3+/t15-,20-,23-,24-,25+,28+,29+/m1/s1
SMILES O=C(/C=C/C1=C[C@@H]2[C@H](c3ccc(O)c(O)c3)[C@@H](C(=O)O)[C@H]1[C@]1(O)OC(=O)C[C@]21O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMelissa officinalis Ref.
PlantaeLabiataeSalvia yunnanensis Ref.
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OrganismSalvia yunnanensis
ReferenceLu,Phytochem.,59,(2002),117