input word = C00037778

Metabolite InformationStructural formula
Name Salvianolic acid H
(+)-Salvianolic acid H
3'-O-(8''-Z-caffeoyl)rosmarinic acid
Formula C27H22O12
Mw 538.11112617
CAS RN 444179-57-1
C_ID C00037778 ,
InChIKey HFTLCJIFEZUOCR-IYMCDAKFNA-N
InChICode InChI=1S/C27H22O12/c28-17-5-2-15(9-20(17)31)12-23(26(34)35)38-22-11-14(1-7-19(22)30)4-8-25(33)39-24(27(36)37)13-16-3-6-18(29)21(32)10-16/h1-12,24,28-32H,13H2,(H,34,35)(H,36,37)/b8-4+,23-12-/t24-/m1/s1
SMILES c1(C[C@@H](OC(=O)/C=C/c2cc(c(cc2)O)O/C(=C\c2cc(c(cc2)O)O)/C(=O)O)C(=O)O)cc(c(cc1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaeLabiataeSalvia cavaleriei Ref.
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