input word = C00043881

Metabolite InformationStructural formula
Name Rugulotrosin A
Formula C32H30O14
Mw 638.16355567
CAS RN 685135-81-3
C_ID C00043881 ,
InChIKey NCPFIXCVFFDLAF-UHFFFAOYNA-N
InChICode InChI=1S/C32H30O14/c1-11-9-15-21(27(39)23-13(33)5-7-17(35)31(23,45-15)29(41)43-3)25(37)19(11)20-12(2)10-16-22(26(20)38)28(40)24-14(34)6-8-18(36)32(24,46-16)30(42)44-4/h9-10,17-18,33-38H,5-8H2,1-4H3/t17-,18-,31-,32+/m0/s1
SMILES COC(=O)C12Oc3cc(C)c(-c4c(C)cc5c(c4O)C(=O)C4=C(O)CCC(O)C4(C(=O)OC)O5)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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