input word = C00023512

Metabolite InformationStructural formula
Name Cistodioic acid
Formula C20H32O4
Mw 336.23005951
CAS RN 28644-72-6
C_ID C00023512 ,
InChIKey LGKWFTJHZPDXFD-XRGUTDLQNA-N
InChICode InChI=1S/C20H32O4/c1-13(12-17(21)22)8-10-19(3)14(2)9-11-20(4)15(18(23)24)6-5-7-16(19)20/h6,13-14,16H,5,7-12H2,1-4H3,(H,21,22)(H,23,24)/t13-,14+,16+,19-,20+/m0/s1
SMILES CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@H]12)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus monspeliensis Ref.
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