| Properties | Image |
MNX_ID | MNXM168508 |
 |
reference | sabiorkM:29664 |
formula | C29H29NO4S |
global charge | 0 |
mol weight | 487.621 |
InChIKey | RLOZWABDAGQFIY-UHFFFAOYSA-N |
InChI | InChI=1S/C29H29NO4S/c1-19-12-14-30(15-13-19)16-17-34-24-9-4-20(5-10-24)28(33)27-25-11-8-23(32)18-26(25)35-29(27)21-2-6-22(31)7-3-21/h2-11,18-19,31-32H,12-17H2,1H3 |
SMILES | CC1CCN(CCOC2=CC=C(C(=O)C3=C(C4=CC=C(O)C=C4)SC4=C3C=CC(O)=C4)C=C2)CC1 |
MNX internals
InChI (mnx) | InChI=1/C29H29NO4S/c1-19-12-14-30(15-13-19)16-17-34-24-9-4-20(5-10-24)28(33)27-25-11-8-23(32)18-26(25)35-29(27)21-2-6-22(31)7-3-21/h2-11,18-19,31-32H,12-17H2,1H3 |
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SMILES (mnx) | [CH3:1][CH:19]1[CH2:12][CH2:14][N:30]([CH2:16][CH2:17][O:34][C:24]2=[CH:10][CH:5]=[C:20]([C:28]([C:27]3=[C:29]([C:21]4=[CH:3][CH:7]=[C:22]([OH:31])[CH:6]=[CH:2]4)[S:35][C:26]4=[C:25]3[CH:11]=[CH:8][C:23]([OH:32])=[CH:18]4)=[O:33])[CH:4]=[CH:9]2)[CH2:15][CH2:13]1 |
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