input word = C00028169

Metabolite InformationStructural formula
Name Dephosphonocalyculin A
Formula C50H80N4O12
Mw 928.57727405
CAS RN 191421-64-4
C_ID C00028169 ,
InChIKey FRXOVDDVHJLWBQ-UJKFHCSBNA-N
InChICode InChI=1S/C50H80N4O12/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(63-13)45-46(60)49(8,9)50(66-45)26-39(56)34(6)40(65-50)19-15-18-36-27-64-48(53-36)31(3)21-23-52-47(61)44(59)43(58)37(28-62-12)54(10)11/h14-18,20,24,27,31,33-35,37-46,55-60H,19,21,23,25-26,28H2,1-13H3,(H,52,61)/b16-14+,18-15+,29-20-,30-17+,32-24+/t31-,33+,34-,35-,37-,38-,39+,40-,41-,42+,43-,44-,45+,46-,50+/m0/s1
SMILES [C@@H]1([C@H]([C@@H](C[C@]2(O1)C([C@H]([C@H](O2)[C@H](C[C@@H]([C@@H]([C@@H]([C@@H](/C=C(/C(=C/C=C/C(=C\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Discodermia calyx Ref.
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