input word = C00049451

Metabolite InformationStructural formula
Name Excavatolide V
(+)-Excavatolide V
Formula C31H42O13
Mw 622.26254143
CAS RN 247921-81-9
C_ID C00049451 ,
InChIKey ICRWAMKSOZMQIE-KVIXKGAINA-N
InChICode InChI=1S/C31H42O13/c1-10-24(36)42-20-13-22(39-17(5)33)29(8)25(15(20)3)27(41-19(7)35)31-23(43-28(37)30(31,9)44-31)12-14(2)11-21(38-16(4)32)26(29)40-18(6)34/h12,15,20-23,25-27H,10-11,13H2,1-9H3/b14-12-/t15-,20-,21-,22-,23-,25+,26+,27+,29-,30-,31-/m0/s1
SMILES [C@@H]1(C[C@@H]([C@]2([C@H]([C@H]1C)[C@H]([C@@]13[C@H](/C=C(\C[C@@H]([C@H]2OC(=O)C)OC(=O)C)/C)OC(=O)[C@@]1(O3)C)OC(=O)C)C)OC(=O)C)OC(=O)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briaereum excavatum Ref.
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