input word = C00022774

Metabolite InformationStructural formula
Name 8alpha,15,18-Labdanetriol
Formula C20H38O3
Mw 326.28209508
CAS RN 100296-76-2
C_ID C00022774 ,
InChIKey UZGDKJBLEYPIOA-VGNXIARONA-N
InChICode InChI=1S/C20H38O3/c1-15(9-13-21)6-7-17-19(3)11-5-10-18(2,14-22)16(19)8-12-20(17,4)23/h15-17,21-23H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20-/m1/s1
SMILES C1C[C@@]([C@H]2[C@](C1)([C@H]([C@](CC2)(C)O)CC[C@H](CCO)C)C)(C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCistaceaeCistus labdaniferus Ref.
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OrganismCistus labdaniferus
ReferenceTabacik-Wlotzka,Bull. Soc. Chim. Fr.,(1963),2299