input word = C00012694

Metabolite InformationStructural formula
Name Arbusculin E
[1S-(1alpha,2beta,4abeta,8alpha,8aalpha)]-Decahydro-1,8-dihydroxy-4a,8-dimethyl-a-methylene-2-naphthaleneacetic acid
Formula C15H24O4
Mw 268.16745925
CAS RN 27652-24-0
C_ID C00012694 ,
InChIKey HNUWMSRPWULZEZ-DEUOFTKMNA-N
InChICode InChI=1S/C15H24O4/c1-9(13(17)18)10-5-8-14(2)6-4-7-15(3,19)12(14)11(10)16/h10-12,16,19H,1,4-8H2,2-3H3,(H,17,18)/t10-,11-,12+,14+,15+/m0/s1
SMILES [C@@]1([C@H]2[C@](CCC1)(CC[C@H]([C@@H]2O)C(=C)C(=O)O)C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia arbuscula Ref.
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