input word = C00029854

Metabolite InformationStructural formula
Name Briaexcavatin N
12-O-Acetyl-12-O-debutyrylbriaexcavatolide W
Formula C26H34O11
Mw 522.21011193
CAS RN 1061320-42-0
C_ID C00029854 ,
InChIKey RRUCLRLOAKXNGT-RCCJXTSHNA-N
InChICode InChI=1S/C26H34O11/c1-12-10-19-26(25(7,37-26)22(31)36-19)21(35-15(4)29)20-23(5,18(11-16(12)30)34-14(3)28)9-8-17(24(20,6)32)33-13(2)27/h8-10,16-21,30,32H,11H2,1-7H3/b12-10-/t16-,17+,18+,19+,20-,21+,23+,24+,25+,26+/m1/s1
SMILES CC(=O)O[C@H]1C=C[C@]2(C)[C@@H](OC(C)=O)C[C@@H](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
--Briareum excavatum Ref.
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