input word = C00000316

Metabolite InformationStructural formula
Name 4,8,13-Duratriene-1,3-diol
2,7,11-Cembratrien-4,6-diol
Formula C20H34O2
Mw 306.25588033
CAS RN 57605-80-8
C_ID C00000316 ,
InChIKey RIVKDDXPCFBMOV-RLLOCNTHNA-N
InChICode InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13-/t18-,19+,20-/m1/s1
SMILES C1/C(=C/CC/C(=C\[C@@H](C[C@@](/C=C/[C@@H](C1)C(C)C)(O)C)O)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNicotiana sylvestris Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
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OrganismNicotiana tabacum
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter52