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 [C@H]1([C@@]23[C@H](/C=C(\C[C@@H]([C@@H]([C@@]4([C@@H]1[C@H]([C@H](C[C@@H]4OC(=O)C)O)C)C)OC(=O)C)OC(=O)CCC)/C)OC(=O)[C@]2(C)O3)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
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