input word = C00029855

Metabolite InformationStructural formula
Name Briaexcavatin O
Formula C30H42O13
Mw 610.26254143
CAS RN 1061320-43-1
C_ID C00029855 ,
InChIKey GRANEUVTBSLGKC-ZWDYLTDKNA-N
InChICode InChI=1S/C30H42O13/c1-9-10-21(36)42-24-23(38-15(4)31)13(2)11-20-30(29(8,43-30)27(37)41-20)25(39-16(5)32)22-14(3)18(34)12-19(35)28(22,7)26(24)40-17(6)33/h11,14,18-20,22-26,34-35H,9-10,12H2,1-8H3/b13-11-/t14-,18-,19-,20-,22+,23+,24-,25-,26-,28-,29-,30-/m0/s1
SMILES CCCC(=O)O[C@H]1[C@H](OC(C)=O)/C(C)=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@@H](OC(C)=O)[C@H]2[C@@H](C)[C@@H](O)C[C@H](O)[C@]2(C)[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
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