input word = C00018090

Metabolite InformationStructural formula
Name Alborixin
Formula C48H84O14
Mw 884.58610739
CAS RN 57760-36-8
C_ID C00018090 ,
InChIKey WWDHGOLBPBWCNJ-UHFFFAOYNA-N
InChICode InChI=1S/C48H84O14/c1-13-38-43(10,53)18-17-39(58-38)44(11)23-30(7)48(56,62-44)45(12)19-16-35(59-45)41(50)47(55)29(6)21-26(3)37(61-47)24-46(54)28(5)14-15-34(60-46)31(8)33(49)22-36-25(2)20-27(4)40(57-36)32(9)42(51)52/h25-41,49-50,53-56H,13-24H2,1-12H3,(H,51,52)/t25-,26+,27+,28+,29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,40-,41-,43-,44+,45+,46-,47-,48-/m1/s1
SMILES [C@]1([C@@H](O[C@@H](CC1)[C@@]1(C[C@H]([C@@](O1)([C@@]1(CC[C@H](O1)[C@@H](O)[C@]1([C@@H](C[C@@H]([C@@H](O1)C[C@@]1([C@H](CC[C@H](O1)[C@@H](C)[C@@H](O)C[C@@H]1O[C@H]([C@H](C[C@H]1C)C)[C@H](C)C(=O)O)C)O)C)C)O)C)O)C)C)CC)(O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces albus Ref.
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