input word = C00049453

Metabolite InformationStructural formula
Name Excavatolide X
(-)-Excavatolide X
Formula C30H40O12
Mw 592.25197674
CAS RN 247921-83-1
C_ID C00049453 ,
InChIKey HXGIUWPPFBGYTC-AUERUTDZNA-N
InChICode InChI=1S/C30H40O12/c1-9-10-23(34)40-20-11-12-27(6)21(38-17(4)32)14-19(37-16(3)31)15(2)13-22-30(29(8,42-30)26(35)41-22)25(39-18(5)33)24(27)28(20,7)36/h11-13,19-22,24-25,36H,9-10,14H2,1-8H3/b15-13-/t19-,20+,21-,22+,24-,25-,27+,28+,29+,30+/m1/s1
SMILES CCCC(=O)O[C@H]1C=C[C@]2(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C[C@@H]3OC(=O)[C@]4(C)O[C@]34[C@H](OC(C)=O)[C@H]2[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briaereum excavatum Ref.
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