input word = C00055503

Metabolite InformationStructural formula
Name 20(10->5)-Abeo-2,11-epoxy-12-methoxy-4,5-seco-4(18),5,7,9,11,13-abietahexaen-1-ol.
Formula C21H26O3
Mw 326.1881947
CAS RN 1234681-29-8
C_ID C00055503
InChIKey DZSGBXPPCRVHFO-UHFFFAOYSA-N
InChICode InChI=1S/C21H26O3/c1-11(2)9-16-19(22)17-13(5)7-8-14-10-15(12(3)4)20(23-6)21(24-16)18(14)17/h7-8,10,12,16,19,22H,1,9H2,2-6H3
SMILES C=C(C)CC1Oc2c(OC)c(C(C)C)cc3ccc(C)c(c23)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia sclarea Ref.
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