input word = C00038031

Metabolite InformationStructural formula
Name Yunnaneic acid E
(+)-Yunnaneic acid E
Formula C27H24O14
Mw 572.11660548
CAS RN 199433-60-8
C_ID C00038031 ,
InChIKey JSOPGXFFNOKRAX-FUAGRLKYNA-N
InChICode InChI=1S/C27H24O14/c28-15-4-1-11(7-17(15)30)8-19(25(35)36)41-20(32)6-3-12-9-14(24(33)34)21(13-2-5-16(29)18(31)10-13)23(27(39)40)22(12)26(37)38/h1-7,9-10,14,19,21-23,28-31H,8H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)/b6-3+/t14-,19-,21+,22+,23-/m1/s1
SMILES O=C(/C=C/C1=C[C@@H](C(=O)O)[C@H](c2ccc(O)c(O)c2)[C@@H](C(=O)O)[C@H]1C(=O)O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia yunnanensis Ref.
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