input word = C00040600

Metabolite InformationStructural formula
Name Umbraculolide A
(-)-Umbraculolide A
Formula C26H36O9
Mw 492.23593275
CAS RN 213269-03-5
C_ID C00040600 ,
InChIKey BTUXYSHCOAGREH-WXASLLKENA-N
InChICode InChI=1S/C26H36O9/c1-13-8-10-19(32-16(4)27)25(7)20(33-17(5)28)11-9-14(2)22(25)23(34-18(6)29)26(31)15(3)24(30)35-21(26)12-13/h12,15,19-23,31H,2,8-11H2,1,3-7H3/b13-12-/t15-,19+,20-,21-,22+,23+,25-,26+/m0/s1
SMILES C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@H]1[C@@H](OC(C)=O)C1(O)[C@H](/C=C(/C)CC[C@H]2OC(C)=O)OC(=O)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Ellisella sp. Ref.
--Junceella fragilis Ref.
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