input word = C00051527

Metabolite InformationStructural formula
Name Melianodiol
Formula C30H48O5
Mw 488.35017464
CAS RN 32764-64-0
C_ID C00051527
InChIKey AOVNJUKMQOLLCG-VTXVQIFFNA-N
InChICode InChI=1S/C30H48O5/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(35-25(17)33)24(32)27(3,4)34/h8,17-19,21-22,24-25,32-34H,9-16H2,1-7H3/t17-,18-,19-,21+,22-,24-,25+,28+,29-,30+/m0/s1
SMILES CC(C)(O)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeAzadirachta indica Ref.
PlantaeMeliaceaeMelia azedarach Ref.
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OrganismMelia azedarach
ReferenceHan, et al., Acta Pharmaceutica Sinica(Yaoxue Xuebao), 26, (1991), 426