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 [C@@H]1(C=C[C@@]2([C@H]([C@@]1(C)O)[C@H]([C@@]13[C@H](/C=C(\[C@@H](C[C@H]2OC(=O)C)OC(=O)C)/C)OC(=O)[C@@]1(O3)C)OC(=O)C)C)OC(=O)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briaereum excavatum Ref.
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OrganismBriaereum excavatum
ReferenceSheu,J.Nat.Prod.,62,(1999),1415