input word = C00022494

Metabolite InformationStructural formula
Name 2beta,3beta-Dihydroxy-8(17),13Z-labdadien-15-oic acid
Formula C20H32O4
Mw 336.23005951
CAS RN 107390-53-4
C_ID C00022494 ,
InChIKey QRYJHSMVZUKZQU-XVOZPQGBNA-N
InChICode InChI=1S/C20H32O4/c1-12(10-17(22)23)6-8-14-13(2)7-9-16-19(3,4)18(24)15(21)11-20(14,16)5/h10,14-16,18,21,24H,2,6-9,11H2,1,3-5H3,(H,22,23)/b12-10-/t14-,15-,16-,18-,20+/m0/s1
SMILES [C@H]1([C@@H](C([C@H]2[C@](C1)([C@H](C(=C)CC2)CC/C(=C\C(=O)O)/C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNolana rostrata Ref.
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