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antcin C

PropertiesImage
MNX_IDMNXM102759 Image of MNXM102759
referencechebi:70312
formulaC29H42O5
global charge0
mol weight470.65
InChIKeyTWISSXUWVGIUBP-IRXLFGEOSA-N
InChIInChI=1S/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17+,18+,19-,20+,21+,23+,28+,29-/m1/s1
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1C[C@@H]3O)[C@H](C)C(=O)O
MNX internals
InChI (mnx)InChI=1/C29H42O5/c1-15(17(3)27(33)34)7-8-16(2)19-9-10-20-25-23(31)13-21-18(4)22(30)11-12-28(21,5)26(25)24(32)14-29(19,20)6/h16-21,23,31H,1,7-14H2,2-6H3,(H,33,34)/t16-,17+,18+,19-,20+,21+,23+,28+,29-/m1/s1 Image of MNXM102759
SMILES (mnx)[CH2:1]=[C:15]([CH2:7][CH2:8][C@@H:16]([CH3:2])[C@H:19]1[CH2:9][CH2:10][C@H:20]2[C:25]3=[C:26]([C:24](=[O:32])[CH2:14][C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:12][CH2:11][C:22](=[O:30])[C@@H:18]([CH3:4])[C@@H:21]1[CH2:13][C@@H:23]3[OH:31])[C@H:17]([CH3:3])[C:27](=[O:33])[OH:34]
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:70312
chebi:70312
TWISSXUWVGIUBP-IRXLFGEOSA-N 		antcin C