input word = C00046009

Metabolite InformationStructural formula
Name Hirtin
Formula C32H36O11
Mw 596.22576199
CAS RN 13291-80-0
C_ID C00046009 ,
InChIKey MSPSOUKLPSVQMY-WOXATJEGNA-N
InChICode InChI=1S/C32H36O11/c1-8-20(35)42-26-22(41-15(2)33)24-28(3)11-9-18(34)29(4,27(38)39-7)23(28)21(36)25(37)31(24,6)32-19(43-32)13-17(30(26,32)5)16-10-12-40-14-16/h9-12,14,17,19,22,24,26,36H,8,13H2,1-7H3/t17-,19+,22+,24+,26-,28?,29-,30+,31-,32+/m0/s1
SMILES C1=C[C@@]2(C(=C(C(=O)[C@@]3([C@@H]2[C@H]([C@@H]([C@@]2([C@]43O[C@@H]4C[C@H]2c2ccoc2)C)OC(=O)CC)OC(=O)C)C)O)[C@](C1=O)(C(=O)OC)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTrichilia hirta Ref.
PlantaeMeliaceaeTrichilia pallida Ref.
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OrganismTrichilia hirta
ReferenceChan,J.Chem.Soc.,Chem.Commun,(1966),206