input word = C00049374

Metabolite InformationStructural formula
Name Excavatolide H
(+)-Excavatolide H
Formula C34H48O13
Mw 664.30949162
CAS RN 221664-90-0
C_ID C00049374 ,
InChIKey ISQVFOAGBSWCLK-SYAQGZBHNA-N
InChICode InChI=1S/C34H48O13/c1-10-12-26(38)44-22-16-24(41-19(5)35)32(8)28(18(22)4)30(43-21(7)37)34-25(46-31(40)33(34,9)47-34)15-17(3)14-23(29(32)42-20(6)36)45-27(39)13-11-2/h15,18,22-25,28-30H,10-14,16H2,1-9H3/b17-15-/t18-,22-,23-,24-,25-,28+,29+,30-,32-,33-,34-/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)OC(=O)CCC)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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