input word = C00038034

Metabolite InformationStructural formula
Name Yunnaneic acid H
(+)-Yunnaneic acid H
Formula C36H26O16
Mw 714.12208479
CAS RN 199433-63-1
C_ID C00038034 ,
InChIKey CMUFBMKEQWQWFP-LEFKRGDZNA-N
InChICode InChI=1S/C36H26O16/c37-19-4-1-14(7-22(19)40)9-27(33(44)45)51-35(48)18-11-16-3-6-21(39)32-29(16)30(17-12-24(42)25(43)13-26(17)50-32)31(18)36(49)52-28(34(46)47)10-15-2-5-20(38)23(41)8-15/h1-8,11-13,27-28,37-43H,9-10H2,(H,44,45)(H,46,47)/t27-,28-/m1/s1
SMILES c12c(Oc3c4c1c(c(cc4ccc3O)C(=O)O[C@H](Cc1cc(c(cc1)O)O)C(=O)O)C(=O)O[C@H](Cc1cc(c(cc1)O)O)C(=O)O)cc(c(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia yunnanensis Ref.
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OrganismSalvia yunnanensis
ReferenceLu,Phytochem.,59,(2002),117