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 CCCC1(O)C(O[C@H]2CC[C@H](O)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 Ref.
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