input word = C00055610

Metabolite InformationStructural formula
Name 11-Hydroxy-19-(3,4-dihydroxybenzoyloxy)-abieta-5,7,9(11),13-tetraene-12-one
Formula C27H30O6
Mw 450.20423869
CAS RN 66700-66-1
C_ID C00055610
InChIKey UNVAVUJKWGNUOH-SXOMAYOGSA-N
InChICode InChI=1S/C27H30O6/c1-15(2)18-12-16-7-9-21-26(3,10-5-11-27(21,4)22(16)24(31)23(18)30)14-33-25(32)17-6-8-19(28)20(29)13-17/h6-9,12-13,15,28-29,31H,5,10-11,14H2,1-4H3/t26-,27+/m1/s1
SMILES CC(C)C1=CC2=CC=C3[C@@](C)(COC(=O)c4ccc(O)c(O)c4)CCC[C@]3(C)C2=C(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePlectranthus purpuratus Ref.
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