input word = C00016917

Metabolite InformationStructural formula
Name Kistamicin B
Kistamycin B
Formula C70H60ClN9O16
Mw 1317.38465465
CAS RN 155683-51-5
C_ID C00016917 ,
InChIKey ACUGLGSAQKAJRT-PPXMHFCUNA-N
InChICode InChI=1S/C70H60ClN9O16/c71-49-27-38-12-19-55(49)96-56-30-39(11-18-54(56)84)61(69(92)93)80-64(87)51-22-36-8-15-46(16-9-36)95-57-31-41-26-48(62(57)85)37-10-17-47-42(33-73-50(47)28-37)29-53(74-63(86)52(23-35-6-13-43(81)14-7-35)76-70(94)72-21-20-34-4-2-1-3-5-34)65(88)77-59(40-24-44(82)32-45(83)25-40)67(90)79-60(41)68(91)78-58(38)66(89)75-51/h1-19,24-28,30-33,51-53,58-61,73,81-85H,20-23,29H2,(H,74,86)(H,75,89)(H,77,88)(H,78,91)(H,79,90)(H,80,87)(H,92,93)(H2,72,76,94)/t51-,52+,53+,58+,59+,60+,61+/m0/s1
SMILES O=C(NCCc1ccccc1)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1Cc2c[nH]c3cc(ccc23)-c2cc3cc(c2O)Oc2ccc(cc2)C[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@@H](c3cc(O)cc(O)c3)NC1=O)c1ccc(c(Cl)c1)Oc1cc(ccc1O)[C@H](C(=O)O)NC2=O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
--Microtetraspora parvosata subsp. kistnae nov. (ATCC 55076) Ref.
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