input word = C00049452

Metabolite InformationStructural formula
Name Excavatolide W
(+)-Excavatolide W
Formula C27H38O10
Mw 522.24649744
CAS RN 247921-82-0
C_ID C00049452 ,
InChIKey QBPHCUGJAMMXSE-MERHDUEUNA-N
InChICode InChI=1S/C27H38O10/c1-8-21(30)35-17-12-19(34-16(5)29)25(6)18(33-15(4)28)10-9-13(2)11-20-27(23(31)22(25)14(17)3)26(7,37-27)24(32)36-20/h11,14,17-20,22-23,31H,8-10,12H2,1-7H3/b13-11-/t14-,17-,18+,19-,20-,22+,23+,25-,26-,27-/m0/s1
SMILES [C@@H]1(C[C@@H]([C@]2([C@H]([C@H]1C)[C@H]([C@@]13[C@H](/C=C(\CC[C@H]2OC(=O)C)/C)OC(=O)[C@@]1(O3)C)O)C)OC(=O)C)OC(=O)CC
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