| Properties | Image |
|---|
| MNX_ID | MNXM1370693 |
 |
| reference | metacycM:CPD0-2290 |
| formula | C71H115NO17P2 |
| global charge | -2 |
| mol weight | 1316.639 |
| InChIKey | WYHMIVUCEAXZMZ-LRILUZMESA-L |
| InChI | InChI=1S/C71H117NO17P2/c1-49(2)26-16-27-50(3)28-17-29-51(4)30-18-31-52(5)32-19-33-53(6)34-20-35-54(7)36-21-37-55(8)38-22-39-56(9)40-23-41-57(10)42-24-43-58(11)44-25-45-59(12)46-47-83-90(79,80)89-91(81,82)88-70-64(72-61(14)74)68(66(77)63(48-73)86-70)87-71-69(85-62(15)75)67(78)65(76)60(13)84-71/h26,28,30,32,34,36,38,40,42,44,46,60,63-71,73,76-78H,16-25,27,29,31,33,35,37,39,41,43,45,47-48H2,1-15H3,(H,72,74)(H,79,80)(H,81,82)/p-2/b50-28+,51-30+,52-32+,53-34+,54-36+,55-38+,56-40+,57-42+,58-44+,59-46+ |
| SMILES | CC(=O)NC1C(OP(=O)([O-])OP(=O)([O-])OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC(CO)C(O)C1OC1OC(C)C(O)C(O)C1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C71H117NO17P2/c1-49(2)26-16-27-50(3)28-17-29-51(4)30-18-31-52(5)32-19-33-53(6)34-20-35-54(7)36-21-37-55(8)38-22-39-56(9)40-23-41-57(10)42-24-43-58(11)44-25-45-59(12)46-47-83-90(79,80)89-91(81,82)88-70-64(72-61(14)74)68(66(77)63(48-73)86-70)87-71-69(85-62(15)75)67(78)65(76)60(13)84-71/h26,28,30,32,34,36,38,40,42,44,46,60,63-71,73,76-78H,16-25,27,29,31,33,35,37,39,41,43,45,47-48H2,1-15H3,(H,72,74)(H,79,80)(H,81,82)/b50-28+,51-30+,52-32+,53-34+,54-36+,55-38+,56-40+,57-42+,58-44+,59-46+/t60?,63?,64?,65?,66?,67?,68?,69?,70?,71? |
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| SMILES (mnx) | [CH3:1][C:49]([CH3:2])=[CH:26][CH2:16][CH2:27]/[C:50]([CH3:3])=[CH:28]/[CH2:17][CH2:29]/[C:51]([CH3:4])=[CH:30]/[CH2:18][CH2:31]/[C:52]([CH3:5])=[CH:32]/[CH2:19][CH2:33]/[C:53]([CH3:6])=[CH:34]/[CH2:20][CH2:35]/[C:54]([CH3:7])=[CH:36]/[CH2:21][CH2:37]/[C:55]([CH3:8])=[CH:38]/[CH2:22][CH2:39]/[C:56]([CH3:9])=[CH:40]/[CH2:23][CH2:41]/[C:57]([CH3:10])=[CH:42]/[CH2:24][CH2:43]/[C:58]([CH3:11])=[CH:44]/[CH2:25][CH2:45]/[C:59]([CH3:12])=[CH:46]/[CH2:47][O:83][P:90]([OH:79])(=[O:80])[O:89][P:91]([OH:81])(=[O:82])[O:88][CH:70]1[CH:64]([N:72]=[C:61]([CH3:14])[OH:74])[CH:68]([O:87][CH:71]2[CH:69]([O:85][C:62]([CH3:15])=[O:75])[CH:67]([OH:78])[CH:65]([OH:76])[CH:60]([CH3:13])[O:84]2)[CH:66]([OH:77])[CH:63]([CH2:48][OH:73])[O:86]1 |
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