input word = C00040723

Metabolite InformationStructural formula
Name Zamanic acid
(+)-Zamanic acid
Formula C39H54O6
Mw 618.39203946
CAS RN 260393-05-3
C_ID C00040723 ,
InChIKey KZEFHUMSFIGJBU-OJPYEJTDNA-N
InChICode InChI=1S/C39H54O6/c1-24-26(23-45-32(42)14-9-25-7-10-27(40)11-8-25)15-20-39(34(43)44)22-21-37(5)28(33(24)39)12-13-30-36(4)18-17-31(41)35(2,3)29(36)16-19-38(30,37)6/h7-12,14,24,26,29-31,33,40-41H,13,15-23H2,1-6H3,(H,43,44)/b14-9+/t24-,26-,29-,30+,31-,33-,36-,37+,38+,39-/m0/s1
SMILES C[C@H]1[C@H](COC(=O)/C=C/c2ccc(O)cc2)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaePlumeria obtusa Ref.
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