input word = C00049377

Metabolite InformationStructural formula
Name Excavatolide K
(+)-Excavatolide K
Formula C30H40O13
Mw 608.24689137
CAS RN 221664-93-3
C_ID C00049377 ,
InChIKey QFKNIEBDNWDFMV-VHYMQYLGNA-N
InChICode InChI=1S/C30H40O13/c1-13-10-21(38-16(4)32)25(40-18(6)34)28(8)22(39-17(5)33)12-20(37-15(3)31)14(2)24(28)26(41-19(7)35)30-23(11-13)42-27(36)29(30,9)43-30/h11,14,20-26H,10,12H2,1-9H3/b13-11-/t14-,20-,21-,22-,23-,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)OC(=O)C)C)C)OC(=O)C)OC(=O)C)/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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OrganismBriareum excavatum
ReferenceSung,J.Nat.Prod.,62,(1999),457