| Properties | Image |
|---|
| MNX_ID | MNXM1131281 |
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| reference | lipidmapsM:LMPR0104330013 |
| formula | C35H46O9 |
| global charge | 0 |
| mol weight | 610.744 |
| InChIKey | QXFOVBNLMKQJFC-NNGASTTLSA-N |
| InChI | InChI=1S/C35H46O9/c1-6-7-8-9-13-16-26(37)44-35-27(32(35,4)5)24-18-23(19-36)29(39)34(42)25(17-20(2)28(34)38)33(24,41)21(3)30(35)43-31(40)22-14-11-10-12-15-22/h10-12,14-15,17-18,21,24-25,27,29-30,36,39,41-42H,6-9,13,16,19H2,1-5H3/t21-,24+,25+,27-,29-,30-,33-,34-,35-/m1/s1 |
| SMILES | CCCCCCCC(=O)O[C@@]12[C@H](OC(=O)C3=CC=CC=C3)[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@]4(O)[C@H](O)C(CO)=C[C@H]3[C@@H]1C2(C)C |
MNX internals
| InChI (mnx) | InChI=1/C35H46O9/c1-6-7-8-9-13-16-26(37)44-35-27(32(35,4)5)24-18-23(19-36)29(39)34(42)25(17-20(2)28(34)38)33(24,41)21(3)30(35)43-31(40)22-14-11-10-12-15-22/h10-12,14-15,17-18,21,24-25,27,29-30,36,39,41-42H,6-9,13,16,19H2,1-5H3/t21-,24+,25+,27-,29-,30-,33-,34-,35-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:13][CH2:16][C:26](=[O:37])[O:44][C@:35]12[C@H:27]([C@@H:24]3[CH:18]=[C:23]([CH2:19][OH:36])[C@@H:29]([OH:39])[C@@:34]4([OH:42])[C@@H:25]([CH:17]=[C:20]([CH3:2])[C:28]4=[O:38])[C@@:33]3([OH:41])[C@H:21]([CH3:3])[C@H:30]1[O:43][C:31]([C:22]1=[CH:14][CH:11]=[CH:10][CH:12]=[CH:15]1)=[O:40])[C:32]2([CH3:4])[CH3:5] |
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