input word = C00064283

Metabolite InformationStructural formula
Name Anagadiol
Formula C30H50O2
Mw 442.38108084
CAS RN 33600-94-1
C_ID C00064283
InChIKey KDVPRLJVCKYSQH-KGUWZBGUSA-N
InChICode InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-28(6)19(20(27)18-25)9-10-22-29(28,7)12-11-21-26(3,4)23(31)17-24(32)30(21,22)8/h18-19,21-24,31-32H,9-17H2,1-8H3/t19-,21+,22+,23+,24-,27-,28-,29-,30+/m1/s1
SMILES CC1(C)C=C2C3CCC4C5(C)C(O)CC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia virgata Ref.
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