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bullatacin

PropertiesImage
MNX_IDMNXM103322 Image of MNXM103322
referencechebi:68972
formulaC37H66O7
global charge0
mol weight622.928
InChIKeyMBABCNBNDNGODA-LUVUIASKSA-N
InChIInChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34+,35+,36+/m0/s1
SMILESCCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCCC[C@@H](O)CC3=C[C@H](C)OC3=O)O2)O1
MNX internals
InChI (mnx)InChI=1/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3/t28-,30+,31-,32+,33+,34+,35+,36+/m0/s1 Image of MNXM103322
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:11][CH2:14][CH2:17][CH2:20][C@@H:31]([C@H:33]1[CH2:22][CH2:24][C@H:35]([C@H:36]2[CH2:25][CH2:23][C@H:34]([C@@H:32]([CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:8][CH2:10][CH2:13][CH2:16][CH2:19][C@H:30]([CH2:27][C:29]3=[CH:26][C@H:28]([CH3:2])[O:42][C:37]3=[O:41])[OH:38])[OH:40])[O:44]2)[O:43]1)[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68972
chebi:68972
MBABCNBNDNGODA-LUVUIASKSA-N 		bullatacin
(5S)-3-[(2R,13R)-2,13-dihydroxy-13-{(2R,2'R,5R,5'R)-5'-[(1S)-1-hydroxyundecyl]octahydro-2,2'-bifuran-5-yl}tridecyl]-5-methylfuran-2(5H)-one
Annonareticin
Rolliniastatin 2
Squamocin G

lipidmaps:LMPK03000011
lipidmapsM:LMPK03000011
MBABCNBNDNGODA-LUVUIASKSA-N 		Rolliniastatin-2
Bullatacin
squamocin-G