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CHEBI:211051 - Bistachybotrysin G

ChEBI IDCHEBI:211051
ChEBI NameBistachybotrysin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H62O10
Net Charge0
Average Mass774.992
Monoisotopic Mass774.43430
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)[C@H](O)[C@H](c1c(CO)cc(O)c2c1O[C@]1(C2)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]21C)C3=O
InChIInChI=1S/C46H62O10/c1-21-9-11-30-41(3,4)32(51)13-14-43(30,7)45(21)17-26-28(49)16-24-34(39(26)56-45)37(53)35(36(24)52)33-23(20-47)15-27(48)25-18-46(55-38(25)33)22(2)10-12-31-42(5,6)40(54)29(50)19-44(31,46)8/h15-16,21-22,29-32,35,37,40,47-51,53-54H,9-14,17-20H2,1-8H3/t21-,22-,29-,30+,31+,32-,35-,37+,40-,43+,44+,45-,46-/m1/s1
InChIKeyIZJCTHMAGUIRCH-QZWVFLBRSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys (ncbitaxon:74721) - PubMed (31051194)
ChEBI Ontology
Outgoing Relation(s)
Bistachybotrysin G (CHEBI:211051) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(3R,4aS,7R,7'S,8R,8'R,8aS)-7'-[(2R,3S,4aS,7R,8R,8aS)-2,3,4'-trihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-yl]-3,4',8'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-cyclopenta[g][1]benzouran]-6'-one