input word = C00047740

Metabolite InformationStructural formula
Name Asterolaurin B
Formula C26H36O9
Mw 492.23593275
CAS RN 1196673-79-6
C_ID C00047740 ,
InChIKey VFJIIFXMPRKDFM-IYZZGBOBNA-N
InChICode InChI=1S/C26H36O9/c1-13(2)10-22(33-16(5)27)25(34-17(6)28)20-12-32-26(35-18(7)29)23-15(4)11-21(30)24(31)14(3)8-9-19(20)23/h8,10,12,19,21-26,30-31H,4,9,11H2,1-3,5-7H3/b14-8+/t19-,21-,22+,23+,24+,25-,26-/m1/s1
SMILES C=C1C[C@@H](O)[C@@H](O)/C(C)=C/C[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAsterospiculariidaeAsterospicularia laurae Ref.
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OrganismAsterospicularia laurae
ReferenceLin,J.Nat.Prod.,72,(2009),1911