input word = C00022242

Metabolite InformationStructural formula
Name (ent-6alpha,8alpha,13E)-6,8-Dihydroxy-13-labden-15-oic acid
Formula C20H34O4
Mw 338.24570957
CAS RN 103701-50-4
C_ID C00022242 ,
InChIKey SJCQJLXYLFQJRA-MXFQMZEHNA-N
InChICode InChI=1S/C20H34O4/c1-13(11-16(22)23)7-8-15-19(4)10-6-9-18(2,3)17(19)14(21)12-20(15,5)24/h11,14-15,17,21,24H,6-10,12H2,1-5H3,(H,22,23)/b13-11+/t14-,15+,17-,19+,20+/m1/s1
SMILES C/C(=CC(=O)O)CC[C@H]1[C@]2(C)CCCC(C)(C)[C@H]2[C@H](O)C[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus laurifolius Ref.
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OrganismCistus laurifolius
ReferenceDe Pascual Teresa,Phytochem.,25,(1986),1185