input word = C00012856

Metabolite InformationStructural formula
Name Gerin
[2R-(2alpha,3alpha,4aalpha,8abeta)]-3-(acetyloxy)-1,2,3,4,4a,7,8,8a-octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid methyl ester
Formula C18H22O5
Mw 318.14672381
CAS RN 73723-66-7
C_ID C00012856 ,
InChIKey GJAARPKBDFKHFS-RSGQIOTRNA-N
InChICode InChI=1S/C18H22O5/c1-10(17(21)22-5)13-8-14-11(2)15(20)6-7-18(14,4)9-16(13)23-12(3)19/h6-7,13-14,16H,1-2,8-9H2,3-5H3/t13-,14+,16-,18+/m1/s1
SMILES C1=CC(=O)C(=C)[C@H]2[C@@]1(C[C@H]([C@H](C2)C(=C)C(=O)OC)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGeraea viscida Ref.
--Geaea viscida Ref.
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OrganismGeraea viscida
ReferenceRodriguez,Phytochem.,18,(1979),1741