input word = C00028071

Metabolite InformationStructural formula
Name Clavosine C
Formula C60H101N4O20P
Mw 1228.67467819
CAS RN 216769-63-0
C_ID C00028071 ,
InChIKey YTSZONUMWPRLEY-UJHBJCPYNA-N
InChICode InChI=1S/C60H101N4O20P/c1-32(25-47(61)66)21-19-22-33(2)34(3)26-35(4)48(67)38(7)43(65)28-45(75-15)52-55(84-85(71,72)73)59(10,11)60(83-52)29-46(81-58-54(78-18)53(77-17)51(76-16)40(9)80-58)39(8)44(82-60)24-20-23-41-30-79-57(63-41)36(5)27-37(6)62-56(70)50(69)49(68)42(31-74-14)64(12)13/h19-23,25-26,30,35-40,42-46,48-55,58,65,67-69H,24,27-29,31H2,1-18H3,(H2,61,66)(H,62,70)(H2,71,72,73)/b21-19+,23-20+,32-25+,33-22-,34-26+/t35-,36+,37-,38+,39-,40+,42+,43+,44+,45+,46+,48-,49+,50+,51+,52-,53-,54-,55+,58+,60+/m1/s1
SMILES o1c(nc(c1)/C=C/C[C@@H]1O[C@]2(C[C@@H]([C@@H]1C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC)OC)OC)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\C(=O)N)\C)/C)C)O)C)O)OC)OP(=O)(O)O)(C)C)[C@@H](C)C[C@@H](C)NC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Myriastra clavosa Ref.
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OrganismMyriastra clavosa
ReferenceFu,J.Org.Chem.,63,(1998),7957