input word = C00023451

Metabolite InformationStructural formula
Name 1(10),13Z-Halimadiene-15,18-dioic acid
Formula C20H30O4
Mw 334.21440945
CAS RN 109163-61-3
C_ID C00023451 ,
InChIKey LRMPBLZFXZGSEB-VOWMEPQSNA-N
InChICode InChI=1S/C20H30O4/c1-13(12-17(21)22)9-11-19(3)14(2)7-8-16-15(19)6-5-10-20(16,4)18(23)24/h6,12,14,16H,5,7-11H2,1-4H3,(H,21,22)(H,23,24)/b13-12-/t14-,16-,19+,20+/m1/s1
SMILES C1C[C@]([C@H]2C(=C1)[C@]([C@@H](CC2)C)(CC/C(=C\C(=O)O)/C)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeHalimium viscosum Ref.
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OrganismHalimium viscosum
ReferenceUrones,Phytochem.,26,(1987),1077