input word = C00047644

Metabolite InformationStructural formula
Name 16alpha-Hydroxyeburiconic acid
Formula C31H48O4
Mw 484.35526002
CAS RN 38909-55-6
C_ID C00047644 ,
InChIKey MUTPNNQAZRJDSK-IEFGUJESNA-N
InChICode InChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h18,20,23-24,26,32H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24-,26+,29-,30-,31+/m1/s1
SMILES C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaePhellodendron amurense Ref.
--Poria cocos Ref.
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