input word = C00029856

Metabolite InformationStructural formula
Name Briaexcavatin P
(+)-Briaexcavatin P
4-O-Acetyl-4-O-debutyrylbriaexcavatolide P
Formula C28H38O13
Mw 582.2312413
CAS RN 1061320-45-3
C_ID C00029856 ,
InChIKey XZIFPZJIAUXVRY-FTUQBNMVNA-N
InChICode InChI=1S/C28H38O13/c1-11-9-19-28(27(8,41-28)25(35)40-19)23(38-15(5)31)20-12(2)17(33)10-18(36-13(3)29)26(20,7)24(39-16(6)32)21(34)22(11)37-14(4)30/h9,12,17-24,33-34H,10H2,1-8H3/b11-9-/t12-,17-,18-,19-,20+,21-,22+,23-,24-,26-,27-,28-/m0/s1
SMILES [C@@H]1(C[C@@H]([C@]2([C@H]([C@H]1C)[C@@H]([C@@]13[C@H](/C=C(\[C@H]([C@@H]([C@@H]2OC(=O)C)O)OC(=O)C)/C)OC(=O)[C@@]1(O3)C)OC(=O)C)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
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OrganismBriareum excavatum
ReferenceSung,Chem.Pharm.Bull.,56,(2008),930