input word = C00040815

Metabolite InformationStructural formula
Name 3beta-Hydroxysugiol
Margocilin
Formula C20H28O3
Mw 316.20384476
CAS RN 61494-71-1
C_ID C00040815 ,
InChIKey UXBNUAGRXXTYEY-AXPCPNSHNA-N
InChICode InChI=1S/C20H28O3/c1-11(2)12-8-13-14(9-15(12)21)20(5)7-6-18(23)19(3,4)17(20)10-16(13)22/h8-9,11,17-18,21,23H,6-7,10H2,1-5H3/t17-,18-,20+/m0/s1
SMILES CC(C)c1cc2c(cc1O)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeChamaecyparis formosensis Ref.
PlantaeMeliaceaeAzadirachta indica Ref.
PlantaeTaxaceaeTaxus cuspidata Ref.
PlantaeTaxaceaeTaxus mairei Ref.
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OrganismAzadirachta indica
ReferenceSaleem, S. et al., Phytotherapy Res., 32, (2018), 1241-1272.