input word = C00018265

Metabolite InformationStructural formula
Name Antibiotic A 130B
Formula C54H90O16
Mw 994.62288683
CAS RN 73492-07-6
C_ID C00018265 ,
InChIKey TWCLGORHWOSEAG-UHFFFAOYNA-N
InChICode InChI=1S/C54H90O16/c1-28(23-29(2)47(56)30(3)24-31(4)50(57)58)41-26-42(64-45-19-16-39(60-13)37(10)62-45)35(8)53(66-41)22-21-51(12,70-53)44-18-15-32(5)54(68-44)33(6)25-43(67-54)49-34(7)48(36(9)52(59,27-55)69-49)65-46-20-17-40(61-14)38(11)63-46/h23,28,30-46,48-49,55,59H,15-22,24-27H2,1-14H3,(H,57,58)/b29-23-/t28-,30-,31+,32-,33+,34-,35+,36-,37-,38-,39+,40+,41+,42+,43-,44+,45-,46+,48+,49-,51+,52-,53-,54+/m0/s1
SMILES C1C[C@H]([C@@H](O[C@@H]1O[C@@H]1[C@@H]([C@H](O[C@@]([C@H]1C)(O)CO)[C@H]1O[C@]2([C@@H](C1)C)[C@H](CC[C@@H](O2)[C@@]1(C)CC[C@@]2(O1)O[C@H](C[C@H]([C@H]2C)O[C@@H]1O[C@H]([C@@H](CC1)OC)C)[C@@H](C)/C=C(/C)\C(=O)[C@H](C[C@@H](C)C(=O)O)C)C)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus A-130 Ref.
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OrganismStreptomyces hygroscopicus A-130
ReferenceTsuji,J. Antibiotics,33,(1980),94