input word = C00015222

Metabolite InformationStructural formula
Name Hibarimicin H
Formula C75H98O33
Mw 1526.59903566
CAS RN 446874-61-9
C_ID C00015222 ,
InChIKey HTJVZFDAFDUEEM-CGRGHEMBNA-N
InChICode InChI=1S/C75H98O33/c1-11-19-72(92)70(106-39-17-14-34(77)26(4)99-39)60(88)63(104-41-23-35(78)52(80)28(6)101-41)32-22-30-21-31-44(54(82)43(30)68(90)74(32,72)93)55(83)48(66(97-10)62(31)95-8)47-56(84)45-46(59(87)65(47)96-9)57(85)49-50(58(45)86)69(91)75(94)51-64(49)108-73(75,20-12-2)71(61(89)67(51)105-42-24-36(79)53(81)29(7)102-42)107-40-18-15-37(27(5)100-40)103-38-16-13-33(76)25(3)98-38/h21,25-29,32-42,51-53,60-61,63-64,67,70-71,76-83,85-86,88-89,92-94H,11-20,22-24H2,1-10H3/t25-,26-,27-,28-,29+,32+,33+,34+,35-,36-,37+,38+,39+,40+,41+,42+,51-,52-,53-,60-,61+,63+,64+,67+,70+,71+,72+,73+,74-,75-/m1/s1
SMILES [C@@H]1([C@@H]([C@]([C@]2([C@H]([C@@H]1O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O)O)Cc1c(C2=O)c(c2c(c1)c(c(c(c2O)C1=C(C(=O)c2c(c(c3C(=O)[C@]4([C@@]5([C@H]([C@@H](O)[C@H]([C@H]4[C@H](c3c2O)O5)O[C@H]2C[C@H]([C@@H]([C@@H](O2)C)O)O)O[C@H]2CC[C@@H]([C@H](O2)C)O[C@H]2CC[C@@H]([C@H](O2)C)O)CCC)O)O)C1=O)OC)OC)OC)O)O)(CCC)O)O[C@H]1CC[C@@H]([C@H](O1)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaMicromonosporaceaeMicrobispora rosea subsp. hibaria Ref.
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OrganismMicrobispora rosea subsp. hibaria
ReferenceChu,J. Antibiotics,55,(2002),270