input word = C00049372

Metabolite InformationStructural formula
Name Excavatolide B
(-)-Excavatolide B
Formula C30H42O12
Mw 594.26762681
CAS RN 205581-10-8
C_ID C00049372 ,
InChIKey DOJARKZHQUCCCD-VGRJIEDTNA-N
InChICode InChI=1S/C30H42O12/c1-9-10-23(35)40-20-11-14(2)12-22-30(29(8,42-30)27(36)41-22)26(39-18(6)33)24-15(3)19(34)13-21(37-16(4)31)28(24,7)25(20)38-17(5)32/h12,15,19-22,24-26,34H,9-11,13H2,1-8H3/b14-12-/t15-,19-,20-,21-,22-,24+,25-,26-,28-,29-,30-/m0/s1
SMILES CCCC(=O)O[C@H]1C/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](OC(C)=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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