input word = C00049643

Metabolite InformationStructural formula
Name Harbinatic acid
Formula C29H40O5
Mw 468.28757439
CAS RN 240417-62-3
C_ID C00049643 ,
InChIKey NXBXXIQYAWOZQT-UZEJQZLYNA-N
InChICode InChI=1S/C29H40O5/c1-19(18-26(31)32)6-13-23-20(2)7-14-24-28(3,4)25(16-17-29(23,24)5)34-27(33)15-10-21-8-11-22(30)12-9-21/h7-12,15,19,23-25,30H,6,13-14,16-18H2,1-5H3,(H,31,32)/b15-10+/t19-,23-,24-,25+,29-/m0/s1
SMILES C1(=CC[C@@H]2[C@]([C@H]1CC[C@H](C)CC(=O)O)(CC[C@H](C2(C)C)OC(=O)/C=C/c1ccc(cc1)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeHardwickia binata Ref.
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