input word = C00000871

Metabolite InformationStructural formula
Name Abietic acid
7,13-Abietadien-18-oic acid
Formula C20H30O2
Mw 302.2245802
CAS RN 514-10-3
C_ID C00000871 ,
InChIKey RSWGJHLUYNHPMX-HSFHVDEGNA-N
InChICode InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
SMILES C1C[C@@]([C@H]2[C@](C1)([C@@H]1C(=CC2)C=C(CC1)C(C)C)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraucariaceaeAraucaria angustifolia Ref.
PlantaeBurseraceaeCommiphora myrrha Ref.
PlantaeCupressaceaeJuniperus phoenicea Ref.
PlantaeCupressaceaeJuniperus thurifera var.africana Ref.
PlantaePinaceaeAbies alba Mill. Ref.
PlantaePinaceaePicea ajanensis Ref.
PlantaePinaceaePicea glehnii L. Ref.
PlantaePinaceaePicea koraiensis Ref.
PlantaePinaceaePinus contorta Ref.
PlantaePinaceaePinus grandis Ref.
PlantaePinaceaePinus massoniana Ref.
PlantaePinaceaePinus sibirica Ref.
PlantaePinaceaePinus taeda Ref.
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