input word = C00045051

Metabolite InformationStructural formula
Name Rubiginosin B
(+)-Rubiginosin B
Formula C21H22O8
Mw 402.13146768
CAS RN 750633-85-3
C_ID C00045051 ,
InChIKey ZRJGOGLZGFEQJT-YNPSFNNDNA-N
InChICode InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(27)29-21(2)17(25)8-12-7-14(4-3-5-22)28-10-15(12)19(21)26/h3-4,6-7,9,17,22-25H,5,8,10H2,1-2H3/b4-3+/t17-,21-/m1/s1
SMILES OC/C=C/C1=CC2=C(CO1)C(=O)[C@]([C@@H](C2)O)(C)OC(=O)c1c(C)cc(cc1O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiXylariaceaeHypoxylon rubiginosum Ref.
FungiXylariaceaeHypoxylon rutilum Ref.
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