input word = C00049450

Metabolite InformationStructural formula
Name Excavatolide U
(+)-Excavatolide U
Formula C33H46O13
Mw 650.29384156
CAS RN 247921-80-8
C_ID C00049450 ,
InChIKey JBXMZEVTKGJBHH-DRAYRHOFNA-N
InChICode InChI=1S/C33H46O13/c1-10-12-26(38)44-22-13-16(3)14-24-33(32(9,46-33)30(39)45-24)29(42-20(7)36)27-17(4)21(43-25(37)11-2)15-23(40-18(5)34)31(27,8)28(22)41-19(6)35/h14,17,21-24,27-29H,10-13,15H2,1-9H3/b16-14-/t17-,21-,22-,23-,24-,27+,28+,29+,31-,32-,33-/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](OC(=O)CC)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
--Briaereum excavatum Ref.
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