input word = C00022727

Metabolite InformationStructural formula
Name Nidorellol
(7beta,8alpha,12E)-12,14-Labdadiene-7,8-diol
Formula C20H34O2
Mw 306.25588033
CAS RN 70387-36-9
C_ID C00022727 ,
InChIKey MVPAUVKWONUNAG-KFEQWCPNNA-N
InChICode InChI=1S/C20H34O2/c1-7-14(2)9-10-15-19(5)12-8-11-18(3,4)16(19)13-17(21)20(15,6)22/h7,9,15-17,21-22H,1,8,10-13H2,2-6H3/b14-9+/t15-,16-,17+,19-,20+/m1/s1
SMILES C=C/C(C)=C/C[C@H]1[C@](C)(O)[C@@H](O)CC2C(C)(C)CCC[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeNidorella spp. Ref.
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