input word = C00048489

Metabolite InformationStructural formula
Name Neocaesalpin Q
(+)-Neocaesalpin Q
Formula C27H32O5
Mw 436.22497413
CAS RN 1132772-58-7
C_ID C00048489 ,
InChIKey LADWTXZKKXBSLF-YPDGWVMQNA-N
InChICode InChI=1S/C27H32O5/c1-16-18-13-22(32-24(29)17-9-6-5-7-10-17)27(30)25(2,3)11-8-12-26(27,4)20(18)15-21-19(16)14-23(28)31-21/h5-7,9-10,14-16,18,20,22,30H,8,11-13H2,1-4H3/t16-,18+,20-,22-,26-,27-/m1/s1
SMILES C1[C@]2([C@](C(CC1)(C)C)([C@@H](C[C@@H]1[C@H]2C=C2C(=CC(=O)O2)[C@@H]1C)OC(=O)c1ccccc1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
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