input word = C00021401

Metabolite InformationStructural formula
Name Lancerodiol 6-(4-hydroxybenzoate)
Formula C22H28O5
Mw 372.193674
CAS RN 96853-62-2
C_ID C00021401 ,
InChIKey IUZVQQNKQMFGQK-XZGIROKVNA-N
InChICode InChI=1S/C22H28O5/c1-13(2)22(26)10-9-21(4)12-17(24)14(3)11-18(19(21)22)27-20(25)15-5-7-16(23)8-6-15/h5-8,11,13,18-19,23,26H,9-10,12H2,1-4H3/t18-,19-,21-,22-/m1/s1
SMILES [C@@]12([C@@H]([C@@H](C=C(C(=O)C1)C)OC(=O)c1ccc(cc1)O)[C@@](CC2)(C(C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeFerula lancerottensis Ref.
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OrganismFerula lancerottensis
ReferenceFraga,Phytochem.,24,(1985),501