input word = C00045699

Metabolite InformationStructural formula
Name Briaexcavatolide K
(-)-Briaexcavatolide K
Formula C28H40O13
Mw 584.24689137
CAS RN 334831-89-9
C_ID C00045699 ,
InChIKey ZHECUSALRKIRAJ-KFJNZCGVNA-N
InChICode InChI=1S/C28H40O13/c1-12-9-19(37-14(3)29)23(39-16(5)31)26(7)20(38-15(4)30)11-18(33)13(2)22(26)24(40-17(6)32)28(36)21(10-12)41-25(34)27(28,8)35/h10,13,18-24,33,35-36H,9,11H2,1-8H3/b12-10-/t13-,18-,19-,20-,21-,22+,23-,24-,26-,27-,28-/m0/s1
SMILES C\1=C(\C[C@@H]([C@@H]([C@@]2([C@@H]([C@@H]([C@]3([C@H]1OC(=O)[C@]3(C)O)O)OC(=O)C)[C@H]([C@H](C[C@@H]2OC(=O)C)O)C)C)OC(=O)C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Briareum excavatum Ref.
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