input word = C00040602

Metabolite InformationStructural formula
Name Uredinorubellin I
Formula C30H22O10
Mw 542.12129692
CAS RN 1042416-02-3
C_ID C00040602 ,
InChIKey GFXZZUIOUAYGTP-DDTYCTSZNA-N
InChICode InChI=1S/C30H22O10/c1-10-6-12-20(16(33)7-10)28(39)30(40)18(35)5-2-13-19-11(9-29(13,30)27(12)38)8-17(34)23-24(19)26(37)22-15(32)4-3-14(31)21(22)25(23)36/h2-8,13,18,27,31-35,38,40H,9H2,1H3/t13-,18-,27+,29+,30+/m1/s1
SMILES Cc1cc(O)c2c(c1)[C@H](O)[C@]13Cc4cc(O)c5c(c4[C@H]1C=C[C@@H](O)C3(O)C2=O)C(=O)c1c(O)ccc(O)c1C5=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMycosphaerellaceaeRamularia uredinicola Ref.
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