input word = C00018147

Metabolite InformationStructural formula
Name Baumycin C2
Formula C28H31NO11
Mw 557.18971084
CAS RN 64479-55-6
C_ID C00018147 ,
InChIKey STAZCZIPHWGTBD-CQQATEFPNA-N
InChICode InChI=1S/C28H31NO11/c1-11-23(32)15(29-10-30)7-18(39-11)40-17-9-28(37,12(2)31)8-14-20(17)27(36)22-21(25(14)34)24(33)13-5-4-6-16(38-3)19(13)26(22)35/h4-6,10-12,15,17-18,23,31-32,34,36-37H,7-9H2,1-3H3,(H,29,30)/t11-,12-,15-,17-,18-,23+,28+/m0/s1
SMILES COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)O)CC3O[C@H]1C[C@H](NC=O)[C@H](O)C(C)O1
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces coeruleorubidus sp. ME130-A4 Ref.
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