input word = C00040097

Metabolite InformationStructural formula
Name Pseudrelone B
Formula C38H46O16
Mw 758.27858542
CAS RN 73702-69-9
C_ID C00040097 ,
InChIKey RLEGPSABDUUZFS-GKBGMGMKNA-N
InChICode InChI=1S/C38H46O16/c1-18(2)28(44)50-29-32(6)16-35-34(22(32)12-25(41)45-8)17-48-24-14-31(5,27(43)21-10-11-47-15-21)23(13-26(42)46-9)36(38(24,34)54-33(7,52-35)53-36)30(49-19(3)39)37(29,35)51-20(4)40/h10-11,15,18,22-24,29-30H,12-14,16-17H2,1-9H3/t22-,23+,24+,29-,30-,31+,32+,33+,34+,35+,36+,37-,38-/m0/s1
SMILES COC(=O)C[C@H]1[C@@]2(C)C[C@]34O[C@]5(C)OC6([C@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H]2OC(=O)C(C)C)[C@H](CC(=O)OC)[C@](C)(C(=O)c2ccoc2)C[C@H]2OC[C@@]14[C@@]26O5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaePseudocedrela kotschyi Ref.
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