input word = C00016039

Metabolite InformationStructural formula
Name Hibarimicin C
Formula C83H110O36
Mw 1682.67767991
CAS RN 208588-83-4
C_ID C00016039 ,
InChIKey WYVNHQPOEAJLTF-GTLRWBTNNA-N
InChICode InChI=1S/C83H110O36/c1-13-22-80(101)77(117-45-19-16-43(31(5)108-45)114-47-21-24-79(100,34(8)84)35(9)112-47)67(96)70(115-48-27-40(86)59(88)32(6)110-48)38-26-36-25-37-51(61(90)50(36)75(98)82(38,80)102)62(91)55(73(106-12)69(37)104-10)54-63(92)52-53(66(95)72(54)105-11)64(93)56-57(65(52)94)76(99)83(103)58-71(56)119-81(83,23-14-2)78(68(97)74(58)116-49-28-41(87)60(89)33(7)111-49)118-46-20-17-42(30(4)109-46)113-44-18-15-39(85)29(3)107-44/h25,29-33,35,38-49,58-60,67-68,70-71,74,77-78,85-91,93-94,96-97,100-103H,13-24,26-28H2,1-12H3/t29-,30-,31-,32+,33-,35+,38+,39+,40-,41+,42+,43+,44-,45+,46+,47+,48+,49+,58-,59+,60+,67+,68-,70-,71+,74+,77-,78-,79-,80+,81+,82-,83-/m1/s1
SMILES CCCC1(O)C(O[C@H]2CC[C@H](O[C@H]3CC[C@@](O)(C(C)=O)C(C)O3)C(C)O2)C(O)C(O[C@H]2C[C@@H](O)[C@@H](O)C(C)O2)C2Cc3cc4c(OC)c(OC)c(C5=C(OC)C(=O)c6c(O)c7c(c(O)c6C5=O)C(=O)C5(O)C6C7OC5(CCC)C(O[C@H]5CC[C@H](O[C@@H]7CC[C@H](O)C(C)O7)C(C)O5)C(O)C6O[C@H]5C[C@@H](O)[C@@H](O)C(C)O5)c(O)c4c(O)c3C(=O)C21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicrobispora rosea subsp. hibaria TP-A0121 Ref.
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OrganismMicrobispora rosea subsp. hibaria TP-A0121
ReferenceKajiura,J.Antibiotics 51,(1998),394