Acutissimin A

Properties Image MNX_ID MNXM118825 reference hmdb:HMDB0039207 formula C56H38O31 global charge 0 mol weight 1206.889 InChIKey DRHVFLXLYQESEQ-UHFFFAOYSA-N InChI InChI=1S/C56H38O31/c57-15-2-1-10(3-17(15)59)47-22(64)4-11-16(58)8-18(60)27(48(11)84-47)32-31-34-30(43(73)46(76)44(31)74)29-33-28(41(71)45(75)42(29)72)26-14(7-21(63)37(67)40(26)70)53(78)83-23-9-82-52(77)12-5-19(61)35(65)38(68)24(12)25-13(6-20(62)36(66)39(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,22-23,32,47,49-51,57-76H,4,9H2 SMILES O=C1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(C=C(O)C(O)=C3O)C(=O)OC2C2OC(=O)C3=C(C(O)=C(O)C(O)=C3C3=C4C(=O)OC2C(C2=C(O)C=C(O)C5=C2OC(C2=CC(O)=C(O)C=C2)C(O)C5)C4=C(O)C(O)=C3O)C2=C(O)C(O)=C(O)C=C12 MNX internals InChI (mnx) InChI=1/C56H38O31/c57-15-2-1-10(3-17(15)59)47-22(64)4-11-16(58)8-18(60)27(48(11)84-47)32-31-34-30(43(73)46(76)44(31)74)29-33-28(41(71)45(75)42(29)72)26-14(7-21(63)37(67)40(26)70)53(78)83-23-9-82-52(77)12-5-19(61)35(65)38(68)24(12)25-13(6-20(62)36(66)39(25)69)54(79)85-49(23)51(87-56(33)81)50(32)86-55(34)80/h1-3,5-8,22-23,32,47,49-51,57-76H,4,9H2/t22?,23?,32?,47?,49?,50?,51? SMILES (mnx) [CH:1]1=[CH:2][C:15]([OH:57])=[C:17]([OH:59])[CH:3]=[C:10]1[CH:47]1[CH:22]([OH:64])[CH2:4][C:11]2=[C:48]([C:27]([CH:32]3[C:31]4=[C:44]([OH:74])[C:46]([OH:76])=[C:43]([OH:73])[C:30]5=[C:34]4[C:55](=[O:80])[O:86][CH:50]3[CH:51]3[CH:49]4[CH:23]([CH2:9][O:82][C:52](=[O:77])[C:12]6=[CH:5][C:19]([OH:61])=[C:35]([OH:65])[C:38]([OH:68])=[C:24]6[C:25]6=[C:13]([CH:6]=[C:20]([OH:62])[C:36]([OH:66])=[C:39]6[OH:69])[C:54](=[O:79])[O:85]4)[O:83][C:53](=[O:78])[C:14]4=[CH:7][C:21]([OH:63])=[C:37]([OH:67])[C:40]([OH:70])=[C:26]4[C:28]4=[C:33]([C:29]5=[C:42]([OH:72])[C:45]([OH:75])=[C:41]4[OH:71])[C:56](=[O:81])[O:87]3)=[C:18]([OH:60])[CH:8]=[C:16]2[OH:58])[O:84]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0