input word = C00064123

Metabolite InformationStructural formula
Name Urmiensic acid
Formula C30H46O4
Mw 470.33960996
CAS RN 2021255-72-9
C_ID C00064123
InChIKey VBSHOQBQAXRWPY-XRVVVFEZSA-N
InChICode InChI=1S/C30H46O4/c1-17-9-13-29(7)20(25(17)19(3)18(2)15-24(33)34)16-21(31)26-28(6)12-11-23(32)27(4,5)22(28)10-14-30(26,29)8/h16,18-19,21-22,25-26,31H,1,9-15H2,2-8H3,(H,33,34)/t18-,19+,21-,22+,25+,26-,28+,29-,30-/m1/s1
SMILES C=C1CCC2(C)C(=CC(O)C3C4(C)CCC(=O)C(C)(C)C4CCC32C)C1C(C)C(C)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia urmiensis Ref.
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