input word = C00034960

Metabolite InformationStructural formula
Name Rubellin A
(+)-Rubellin A
Formula C30H22O9
Mw 526.1263823
CAS RN 102349-24-6
C_ID C00034960 ,
InChIKey MIKZOUDYDHOEBX-LHBLDISNNA-N
InChICode InChI=1S/C30H22O9/c1-11-7-14-22(18(33)8-11)29(38)39-28-17(32)6-5-15-20-12(10-30(15,28)27(14)37)9-19(34)23-24(20)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,17,27-28,31-34,37H,10H2,1H3/t15-,17-,27+,28-,30+/m1/s1
SMILES Cc1cc(O)c2c(c1)[C@H](O)[C@]13Cc4cc(O)c5c(c4[C@H]1C=C[C@@H](O)[C@H]3OC2=O)C(=O)c1cccc(O)c1C5=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMycosphaerellaceaeRamularia collocygni Ref.
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