input word = C00018350

Metabolite InformationStructural formula
Name 2-Hydroxyaclacinomycin A
Formula C42H53NO16
Mw 827.33643465
CAS RN 79127-36-9
C_ID C00018350 ,
InChIKey OPLSIDPSRWNQIH-TWGARHONNA-N
InChICode InChI=1S/C42H53NO16/c1-8-42(52)16-28(33-21(35(42)41(51)53-7)13-23-34(38(33)50)37(49)32-22(36(23)48)11-20(44)12-26(32)46)57-30-14-24(43(5)6)39(18(3)55-30)59-31-15-27(47)40(19(4)56-31)58-29-10-9-25(45)17(2)54-29/h11-13,17-19,24,27-31,35,39-40,44,46-47,50,52H,8-10,14-16H2,1-7H3/t17-,18+,19+,24-,27+,28+,29-,30+,31-,35+,39+,40+,42-/m0/s1
SMILES c1c(cc2c(c1O)C(=O)c1c(C2=O)cc2c(c1O)[C@@H](C[C@@]([C@H]2C(=O)OC)(O)CC)O[C@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H]([C@@H](C2)O)O[C@H]2CCC(=O)[C@@H](O2)C)C)[C@H](C1)N(C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus KE303 Ref.
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