input word = C00016037

Metabolite InformationStructural formula
Name Hibarimicin A
Formula C85H112O37
Mw 1724.6882446
CAS RN 208588-76-5
C_ID C00016037 ,
InChIKey XGHSXRXEPCUHTN-OSLPWPTLNA-N
InChICode InChI=1S/C85H112O37/c1-14-22-82(104)78(120-45-18-16-43(30(3)110-45)116-47-20-24-80(102,34(7)86)36(9)114-47)68(98)71(118-49-28-41(88)60(90)32(5)112-49)40-27-38-26-39-52(62(92)51(38)76(100)84(40,82)105)63(93)56(74(109-13)70(39)107-11)55-64(94)53-54(67(97)73(55)108-12)65(95)57-58(66(53)96)77(101)85(106)59-72(57)122-83(85,23-15-2)79(69(99)75(59)119-50-29-42(89)61(91)33(6)113-50)121-46-19-17-44(31(4)111-46)117-48-21-25-81(103,35(8)87)37(10)115-48/h26,30-33,36-37,40-50,59-61,68-69,71-72,75,78-79,88-93,95-96,98-99,102-106H,14-25,27-29H2,1-13H3/t30-,31+,32-,33-,36-,37-,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,50-,59-,60-,61-,68-,69-,71+,72+,75+,78+,79+,80+,81-,82-,83+,84+,85-/m0/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@](O)(C(C)=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