input word = C00003728

Metabolite InformationStructural formula
Name Salannin
Formula C34H44O9
Mw 596.298533
CAS RN 992-20-1
C_ID C00003728 ,
InChIKey CJHBVBNPNXOWBA-RGSWAVSHNA-N
InChICode InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23+,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1
SMILES C1[C@H]([C@@]2([C@H]3[C@]([C@H]1OC(=O)/C(=C/C)/C)([C@@H]([C@]1([C@@H]([C@@H]3OC2)O[C@H]2C1=C([C@@H](C2)c1cocc1)C)C)CC(=O)OC)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
PlantaeMeliaceaeMelia azedarach Ref.
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OrganismMelia azedarach
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)