input word = C00049953

Metabolite InformationStructural formula
Name 4-epi-Sandaracopimaric acid
(+)-4-epi-Sandaracopimaric acid
Formula C20H30O2
Mw 302.2245802
CAS RN 59366-35-7
C_ID C00049953 ,
InChIKey MHVJRKBZMUDEEV-CNORQWHNNA-N
InChICode InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20-/m0/s1
SMILES C1[C@H]2C(=C[C@](C1)(C=C)C)CC[C@@H]1[C@@]2(CCC[C@@]1(C(=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIlliciaceaeIllicium angustisepalum Ref.
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