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 C1[C@](Cc2c([C@H]1O[C@@H]1O[C@H]([C@H]([C@H](C1)NC=O)O)C)c(c1c(c2O)C(=O)c2c(C1=O)c(ccc2)OC)O)([C@H](C)O)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces coeruleorubidus sp. ME130-A4 Ref.
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OrganismStreptomyces coeruleorubidus sp. ME130-A4
ReferenceKomiyama,J. Antibiotics,30,(1977),619