input word = C00040801

Metabolite InformationStructural formula
Name 20-Oxo-20,21-seco-tingen-21-oic acid
Formula C28H36O5
Mw 452.25627426
CAS RN 220223-74-5
C_ID C00040801 ,
InChIKey GJOZEYAHNFNJCB-QRBYOSPWNA-N
InChICode InChI=1S/C28H36O5/c1-16(29)13-22-25(3,15-23(31)32)9-11-27(5)21-8-7-18-17(2)24(33)20(30)14-19(18)26(21,4)10-12-28(22,27)6/h7-8,14,22,33H,9-13,15H2,1-6H3,(H,31,32)/t22-,25+,26+,27-,28+/m1/s1
SMILES C([C@@H]1[C@](CC(=O)O)(CC[C@]2([C@]1(CC[C@@]1(C2=CC=C2C1=CC(=O)C(=C2C)O)C)C)C)C)C(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeGlyptopetalum sclerocarpum Ref.
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OrganismGlyptopetalum sclerocarpum
ReferenceSotanaphun,Phytochem.,49,(1998),1749