input word = C00043882

Metabolite InformationStructural formula
Name Rugulotrosin B
Formula C32H30O14
Mw 638.16355567
CAS RN 685135-82-4
C_ID C00043882 ,
InChIKey XCEBYCVVMDDYRZ-UHFFFAOYNA-N
InChICode InChI=1S/C32H30O14/c1-11-9-15(35)21-26(39)23-13(33)6-8-18(37)32(23,30(42)44-4)46-28(21)20(11)19-12(2)10-16-22(25(19)38)27(40)24-14(34)5-7-17(36)31(24,45-16)29(41)43-3/h9-10,17-18,33-38H,5-8H2,1-4H3/t17-,18+,31-,32-/m1/s1
SMILES COC(=O)C12Oc3cc(C)c(-c4c(C)cc(O)c5c4OC4(C(=O)OC)C(=C(O)CCC4O)C5=O)c(O)c3C(=O)C1=C(O)CCC2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium sp. Ref.
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OrganismPenicillium sp.
ReferenceStewart,J.Nat.Prod.,67,(2004),728