input word = C00050210

Metabolite InformationStructural formula
Name Quanolirone I
Formula C37H42O13
Mw 694.26254143
CAS RN 215712-53-1
C_ID C00050210 ,
InChIKey WIJGEWVJMHOFER-RBDRBLOGNA-N
InChICode InChI=1S/C37H42O13/c1-14-9-21-20(23(38)10-14)11-22-31(36(21)44)35(43)19-6-5-18(34(42)30(19)37(22)45)26-13-27(33(41)17(4)46-26)50-28-8-7-25(15(2)47-28)49-29-12-24(39)32(40)16(3)48-29/h5-6,9-11,15-17,24-29,32-33,38-42,44H,7-8,12-13H2,1-4H3/t15-,16-,17-,24-,25-,26+,27-,28-,29+,32-,33+/m1/s1
SMILES Cc1cc(O)c2cc3c(c(O)c2c1)C(=O)c1ccc([C@H]2C[C@@H](O[C@@H]4CC[C@@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@@H](C)O4)[C@H](O)[C@@H](C)O2)c(O)c1C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. WC76535 Ref.
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