ACCESSION: MSBNK-RIKEN_NPDepo-CB000491
RECORD_TITLE: Foetoside C; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Triterpenoids

CH$NAME: Foetoside C
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₅₈H₉₄O₂₅
CH$EXACT_MASS: 1191.3809
CH$SMILES: CC1OC(OC2C(OC3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CC[C@]45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
CH$IUPAC: InChI=1S/C58H94O25/c1-24-34(62)45(81-48-41(69)35(63)27(60)21-74-48)44(72)50(77-24)82-46-36(64)28(61)22-75-51(46)80-33-12-13-55(6)31(54(33,4)5)11-14-57(8)32(55)10-9-25-26-19-53(2,3)15-17-58(26,18-16-56(25,57)7)52(73)83-49-43(71)40(68)38(66)30(79-49)23-76-47-42(70)39(67)37(65)29(20-59)78-47/h9,24,26-51,59-72H,10-23H2,1-8H3/t24?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,55-,56+,57+,58?/m0/s1
CH$LINK: CAS 94483-11-1
CH$LINK: INCHIKEY BGKLFKHHSFCDKC-KPHKKTKMSA-N
CH$LINK: PUBCHEM CID:44661022

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0910100000-ced86f009197f4514c13
PK$NUM_PEAK: 183
PK$PEAK: m/z int. rel.int.
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//