input word = C00033584

Metabolite InformationStructural formula
Name 7-Acetyl-11beta-acetoxydihydronomilin
Formula C32H40O12
Mw 616.25197674
CAS RN 78204-69-0
C_ID C00033584 ,
InChIKey LLKSEVKQBGUFFZ-GQWHIGGDNA-N
InChICode InChI=1S/C32H40O12/c1-15(33)39-19-13-29(6)25(18-9-10-38-14-18)42-27(37)26-32(29,44-26)31(8)22(41-17(3)35)11-20-28(4,5)43-23(36)12-21(40-16(2)34)30(20,7)24(19)31/h9-10,14,19-22,24-26H,11-13H2,1-8H3/t19-,20+,21+,22-,24-,25+,26-,29+,30-,31-,32-/m1/s1
SMILES [C@]123[C@]4([C@@H]([C@@]5([C@@H](C[C@H]4OC(=O)C)C(OC(=O)C[C@@H]5OC(=O)C)(C)C)C)[C@@H](C[C@]2([C@@H](OC(=O)[C@H]1O3)c1ccoc1)C)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Cedrala odorata Ref.
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