input word = C00040762

Metabolite InformationStructural formula
Name 11beta,12alpha-Diacetoxycedrelone
Formula C30H34O9
Mw 538.22028269
CAS RN 220494-50-8
C_ID C00040762 ,
InChIKey SKQGYRDVRJBYOW-VMDZYDHANA-N
InChICode InChI=1S/C30H34O9/c1-14(31)37-21-23-27(5)10-8-18(33)26(3,4)22(27)20(34)24(35)29(23,7)30-19(39-30)12-17(16-9-11-36-13-16)28(30,6)25(21)38-15(2)32/h8-11,13,17,19,21,23,25,34H,12H2,1-7H3/t17-,19+,21+,23+,25-,27+,28+,29?,30?/m0/s1
SMILES CC(=O)O[C@@H]1[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)C3=C(O)C(=O)[C@@]2(C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]3(C)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTurraea holstii Ref.
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