input word = C00036140

Metabolite InformationStructural formula
Name Meliacinanhydride
Methyl 12-oxo-8alpha,15-dihydroxyabiet-13-en-19-oate
Formula C31H38O10
Mw 570.24649744
CAS RN 792917-16-9
C_ID C00036140 ,
InChIKey JSXJRQVDHPCREN-JKPKRBOXNA-N
InChICode InChI=1S/C31H38O10/c1-14(32)39-25-21(36)23-28(3,4)19(34)11-12-29(23,5)24-22(38-8)26(40-15(2)33)30(6)17(9-10-18(30)31(24,25)7)16-13-20(35)41-27(16)37/h10-13,17,21-26,36H,9H2,1-8H3/t17-,21+,22-,23+,24+,25+,26-,29-,30-,31-/m0/s1
SMILES C1=C[C@]2([C@@H](C(C1=O)(C)C)[C@H]([C@H]([C@@]1([C@@H]2[C@@H]([C@@H]([C@@]2(C1=CC[C@H]2C1=CC(=O)OC1=O)C)OC(=O)C)OC)C)OC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeJuniperus phoenicea Ref.
PlantaeCupressaceaeJuniperus thurifera var.africana Ref.
PlantaeMeliaceaeAzadirachta indica Ref.
--Azadiractica indica Ref.
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OrganismAzadirachta indica
ReferenceSaleem, S. et al., Phytotherapy Res., 32, (2018), 1241-1272.